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 2c83_1_A DATA FIRST_RESID 26 DATA SEQUENCE KTITLYLDPA SLPALNQLXD FTQNNEDKTH PRIFGLSRFK IPDNIITQYQ DATA SEQUENCE NIHFVELKDN RPTEALFTIL DQYPGNIELN IHLNIAHSVQ LIRPILAYRF DATA SEQUENCE KHLDRVSIQQ LNLYDDGSXE YVDLEKEENK DISAEIKQAE KQLSHYLLTG DATA SEQUENCE KIKFDNPTIA RYVWQSAFPV KYHFLSTDYF EKAEFLQPLK EYLAENYQKX DATA SEQUENCE DWTAYQQLTP EQQAFYLTLV GFNDEVKQSL EVQQAKFIFT GTTTWEGNTE DATA SEQUENCE VREYYAQQQL NLLNHFTQAE GDLFIGDHYK IYFKGHPRGG EINDIILNNA DATA SEQUENCE KNITNIPANI SFEVLXXTGL LPDKVGGVAS SLYFSLPKEK ISHIIFTSNK DATA SEQUENCE QVKSKEDALN NPYVKVXRRL GIIDESQVIF WDSLKELGGG 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 26 K HA 0.000 nan 4.320 nan 0.000 0.191 26 K C 0.000 176.547 176.600 -0.089 0.000 0.988 26 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 26 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 27 T N 2.802 117.291 114.554 -0.107 0.000 2.875 27 T HA 0.572 4.955 4.350 0.055 0.000 0.284 27 T C -0.094 174.429 174.700 -0.294 0.000 0.995 27 T CA -0.346 61.687 62.100 -0.112 0.000 1.060 27 T CB 0.474 69.374 68.868 0.052 0.000 0.967 27 T HN 0.287 nan 8.240 nan 0.000 0.476 28 I N 2.296 122.699 120.570 -0.279 0.000 2.498 28 I HA 0.304 4.507 4.170 0.055 0.000 0.290 28 I C -0.024 175.938 176.117 -0.258 0.000 1.032 28 I CA -0.744 60.321 61.300 -0.391 0.000 1.073 28 I CB 2.287 39.988 38.000 -0.497 0.000 1.251 28 I HN 0.478 nan 8.210 nan 0.000 0.426 29 T N 7.003 121.419 114.554 -0.230 0.000 2.771 29 T HA 0.598 4.981 4.350 0.055 0.000 0.281 29 T C -0.403 173.948 174.700 -0.582 0.000 0.982 29 T CA -0.387 61.511 62.100 -0.338 0.000 0.978 29 T CB 0.966 69.642 68.868 -0.320 0.000 0.930 29 T HN 0.161 nan 8.240 nan 0.000 0.447 30 L N 3.870 124.763 121.223 -0.549 0.000 2.313 30 L HA 0.489 4.862 4.340 0.055 0.000 0.283 30 L C -1.068 175.489 176.870 -0.522 0.000 1.013 30 L CA -0.639 53.904 54.840 -0.495 0.000 0.816 30 L CB 0.963 42.838 42.059 -0.306 0.000 1.236 30 L HN 0.605 nan 8.230 nan 0.000 0.419 31 Y N 4.550 124.638 120.300 -0.354 0.000 2.388 31 Y HA 0.618 5.200 4.550 0.055 0.000 0.328 31 Y C -0.522 175.305 175.900 -0.122 0.000 0.963 31 Y CA -0.597 57.340 58.100 -0.271 0.000 1.240 31 Y CB 0.982 39.165 38.460 -0.460 0.000 1.118 31 Y HN 0.313 nan 8.280 nan 0.000 0.484 32 L N 3.724 125.007 121.223 0.100 0.000 2.356 32 L HA 0.685 5.057 4.340 0.055 0.000 0.277 32 L C -1.135 175.799 176.870 0.106 0.000 0.996 32 L CA -0.687 54.200 54.840 0.079 0.000 0.822 32 L CB 2.165 44.239 42.059 0.026 0.000 1.256 32 L HN 0.471 nan 8.230 nan 0.000 0.413 33 D N 3.623 124.087 120.400 0.107 0.000 2.633 33 D HA 0.198 4.870 4.640 0.055 0.000 0.198 33 D C -2.401 173.963 176.300 0.107 0.000 1.273 33 D CA -0.764 53.307 54.000 0.119 0.000 0.830 33 D CB 2.629 43.504 40.800 0.124 0.000 1.771 33 D HN 0.121 nan 8.370 nan 0.000 0.547 34 P HA 0.187 nan 4.420 nan 0.000 0.235 34 P C 0.367 177.700 177.300 0.056 0.000 1.177 34 P CA 0.260 63.373 63.100 0.023 0.000 0.785 34 P CB 0.607 32.250 31.700 -0.095 0.000 0.885 35 A N -0.041 122.848 122.820 0.114 0.000 3.623 35 A HA 0.536 4.889 4.320 0.055 0.000 0.157 35 A C 1.848 179.538 177.584 0.176 0.000 1.850 35 A CA 0.456 52.571 52.037 0.130 0.000 1.186 35 A CB -0.441 18.662 19.000 0.171 0.000 1.824 35 A HN -0.013 nan 8.150 nan 0.000 0.710 36 S N -2.320 113.496 115.700 0.193 0.000 2.931 36 S HA 0.106 4.609 4.470 0.055 0.000 0.251 36 S C 1.691 176.424 174.600 0.222 0.000 1.078 36 S CA 0.441 58.811 58.200 0.284 0.000 0.835 36 S CB -0.332 62.989 63.200 0.200 0.000 0.798 36 S HN 0.472 nan 8.310 nan 0.000 0.495 37 L N 3.570 124.902 121.223 0.182 0.000 2.017 37 L HA 0.058 4.431 4.340 0.055 0.000 0.208 37 L C -1.445 175.447 176.870 0.037 0.000 1.073 37 L CA 2.137 57.069 54.840 0.154 0.000 0.745 37 L CB -1.355 40.842 42.059 0.231 0.000 0.894 37 L HN 0.132 nan 8.230 nan 0.000 0.432 38 P HA -0.153 nan 4.420 nan 0.000 0.214 38 P C 1.644 178.789 177.300 -0.258 0.000 1.163 38 P CA 2.140 65.180 63.100 -0.100 0.000 0.883 38 P CB -0.263 31.507 31.700 0.117 0.000 0.788 39 A N -0.366 122.388 122.820 -0.111 0.000 1.903 39 A HA -0.231 4.121 4.320 0.055 0.000 0.219 39 A C 2.263 179.584 177.584 -0.438 0.000 1.191 39 A CA 1.903 53.799 52.037 -0.234 0.000 0.638 39 A CB -1.867 17.071 19.000 -0.104 0.000 0.823 39 A HN 0.130 nan 8.150 nan 0.000 0.451 40 L N -0.430 120.585 121.223 -0.346 0.000 2.131 40 L HA -0.200 4.173 4.340 0.055 0.000 0.210 40 L C 2.374 179.155 176.870 -0.148 0.000 1.092 40 L CA 1.230 55.920 54.840 -0.249 0.000 0.759 40 L CB -0.536 41.513 42.059 -0.017 0.000 0.903 40 L HN 0.471 nan 8.230 nan 0.000 0.435 41 N N -0.459 118.058 118.700 -0.304 0.000 2.250 41 N HA -0.142 4.630 4.740 0.055 0.000 0.181 41 N C 1.816 177.068 175.510 -0.430 0.000 1.017 41 N CA 1.026 53.823 53.050 -0.421 0.000 0.866 41 N CB 0.038 38.068 38.487 -0.762 0.000 0.985 41 N HN 0.508 nan 8.380 nan 0.000 0.429 42 Q N 0.416 119.920 119.800 -0.494 0.000 2.187 42 Q HA 0.093 4.466 4.340 0.055 0.000 0.199 42 Q C 0.903 176.649 176.000 -0.424 0.000 0.957 42 Q CA 0.377 55.927 55.803 -0.423 0.000 0.857 42 Q CB 0.270 28.818 28.738 -0.316 0.000 0.929 42 Q HN 0.287 nan 8.270 nan 0.000 0.453 46 F N 1.843 121.720 119.950 -0.122 0.000 2.102 46 F HA 0.017 4.578 4.527 0.057 0.000 0.298 46 F C 2.009 177.842 175.800 0.056 0.000 1.105 46 F CA 2.278 60.263 58.000 -0.024 0.000 1.239 46 F CB -0.869 38.096 39.000 -0.058 0.000 0.991 46 F HN -0.038 nan 8.300 nan 0.000 0.474 47 T N 0.831 115.332 114.554 -0.088 0.000 2.665 47 T HA -0.279 4.104 4.350 0.055 0.000 0.268 47 T C 1.874 176.440 174.700 -0.225 0.000 1.035 47 T CA 2.063 64.077 62.100 -0.143 0.000 1.151 47 T CB -0.414 68.578 68.868 0.206 0.000 0.862 47 T HN 0.434 nan 8.240 nan 0.000 0.438 48 Q N 0.695 120.425 119.800 -0.117 0.000 2.181 48 Q HA -0.031 4.342 4.340 0.055 0.000 0.205 48 Q C 1.610 177.544 176.000 -0.110 0.000 0.980 48 Q CA 0.857 56.595 55.803 -0.108 0.000 0.862 48 Q CB -0.084 28.615 28.738 -0.064 0.000 0.905 48 Q HN 0.456 nan 8.270 nan 0.000 0.429 49 N N 0.792 119.439 118.700 -0.089 0.000 2.235 49 N HA -0.007 4.766 4.740 0.055 0.000 0.209 49 N C 0.580 176.045 175.510 -0.075 0.000 1.122 49 N CA 0.080 53.098 53.050 -0.053 0.000 0.845 49 N CB 0.062 38.556 38.487 0.012 0.000 1.004 49 N HN 0.464 nan 8.380 nan 0.000 0.499 50 N N 0.395 118.940 118.700 -0.258 0.000 2.520 50 N HA -0.085 4.688 4.740 0.055 0.000 0.185 50 N C 0.866 176.334 175.510 -0.070 0.000 1.068 50 N CA 0.461 53.327 53.050 -0.306 0.000 0.911 50 N CB 0.193 38.126 38.487 -0.924 0.000 0.961 50 N HN -0.122 nan 8.380 nan 0.000 0.446 51 E N 1.019 121.166 120.200 -0.089 0.000 2.268 51 E HA -0.093 4.290 4.350 0.055 0.000 0.195 51 E C -0.209 176.408 176.600 0.027 0.000 0.995 51 E CA 0.658 57.027 56.400 -0.052 0.000 0.836 51 E CB -0.364 29.299 29.700 -0.062 0.000 0.763 51 E HN 0.438 nan 8.360 nan 0.000 0.491 52 D N 0.541 120.995 120.400 0.091 0.000 2.365 52 D HA 0.040 4.713 4.640 0.055 0.000 0.237 52 D C 0.360 176.843 176.300 0.306 0.000 1.190 52 D CA -0.116 53.976 54.000 0.153 0.000 0.867 52 D CB 0.699 41.581 40.800 0.137 0.000 1.050 52 D HN -0.291 nan 8.370 nan 0.000 0.491 53 K N 0.998 121.522 120.400 0.206 0.000 2.426 53 K HA 0.047 4.399 4.320 0.055 0.000 0.193 53 K C 1.502 178.262 176.600 0.267 0.000 1.028 53 K CA 0.636 57.030 56.287 0.179 0.000 1.047 53 K CB 0.445 32.898 32.500 -0.078 0.000 0.821 53 K HN 0.486 nan 8.250 nan 0.000 0.513 54 T N -3.731 110.968 114.554 0.242 0.000 3.058 54 T HA 0.087 4.470 4.350 0.055 0.000 0.278 54 T C 0.359 175.178 174.700 0.198 0.000 0.974 54 T CA -0.463 61.754 62.100 0.195 0.000 0.893 54 T CB -0.301 68.639 68.868 0.119 0.000 1.138 54 T HN 0.092 nan 8.240 nan 0.000 0.529 55 H N 3.750 122.912 119.070 0.152 0.000 3.070 55 H HA 0.175 4.764 4.556 0.056 0.000 0.313 55 H C -2.662 172.708 175.328 0.069 0.000 0.997 55 H CA -1.038 55.066 56.048 0.093 0.000 1.438 55 H CB 0.793 30.605 29.762 0.084 0.000 1.455 55 H HN 0.121 nan 8.280 nan 0.000 0.575 56 P HA 0.104 nan 4.420 nan 0.000 0.267 56 P C -0.660 176.509 177.300 -0.218 0.000 1.209 56 P CA 0.503 63.476 63.100 -0.211 0.000 0.763 56 P CB 0.340 31.796 31.700 -0.407 0.000 0.816 57 R N 3.267 123.702 120.500 -0.108 0.000 2.628 57 R HA 0.613 4.986 4.340 0.055 0.000 0.288 57 R C -0.628 175.493 176.300 -0.298 0.000 0.980 57 R CA -0.700 55.242 56.100 -0.262 0.000 0.891 57 R CB 1.958 32.098 30.300 -0.266 0.000 1.188 57 R HN 0.431 nan 8.270 nan 0.000 0.450 58 I N 3.516 123.816 120.570 -0.450 0.000 2.410 58 I HA 0.335 4.538 4.170 0.055 0.000 0.286 58 I C -0.938 174.919 176.117 -0.434 0.000 1.009 58 I CA -0.572 60.528 61.300 -0.333 0.000 1.111 58 I CB 1.166 39.006 38.000 -0.267 0.000 1.262 58 I HN 0.376 nan 8.210 nan 0.000 0.443 59 F N 3.694 123.448 119.950 -0.328 0.000 2.415 59 F HA 0.550 5.110 4.527 0.054 0.000 0.348 59 F C 0.992 176.784 175.800 -0.013 0.000 1.119 59 F CA -0.516 57.384 58.000 -0.167 0.000 1.069 59 F CB 1.843 40.686 39.000 -0.261 0.000 1.124 59 F HN 0.462 nan 8.300 nan 0.000 0.472 60 G N 5.260 114.166 108.800 0.176 0.000 4.876 60 G HA2 0.444 4.437 3.960 0.055 0.000 0.304 60 G HA3 0.444 4.437 3.960 0.055 0.000 0.304 60 G C -0.897 174.097 174.900 0.156 0.000 1.396 60 G CA -0.307 44.879 45.100 0.144 0.000 0.978 60 G HN 0.527 nan 8.290 nan 0.000 0.565 61 L N 1.518 122.872 121.223 0.219 0.000 2.297 61 L HA 0.203 4.576 4.340 0.055 0.000 0.277 61 L C 1.465 178.454 176.870 0.199 0.000 1.040 61 L CA -0.533 54.439 54.840 0.219 0.000 0.867 61 L CB 1.366 43.576 42.059 0.252 0.000 1.244 61 L HN 0.240 nan 8.230 nan 0.000 0.433 62 S N 1.101 116.880 115.700 0.132 0.000 2.400 62 S HA -0.169 4.333 4.470 0.055 0.000 0.232 62 S C 1.782 176.387 174.600 0.008 0.000 1.025 62 S CA 1.394 59.631 58.200 0.062 0.000 0.993 62 S CB -0.128 63.087 63.200 0.025 0.000 0.808 62 S HN 0.539 nan 8.310 nan 0.000 0.478 63 R N -0.279 120.222 120.500 0.002 0.000 2.310 63 R HA 0.336 4.709 4.340 0.055 0.000 0.202 63 R C -0.839 175.127 176.300 -0.557 0.000 0.933 63 R CA 0.147 56.075 56.100 -0.285 0.000 1.054 63 R CB -0.024 30.011 30.300 -0.441 0.000 0.985 63 R HN 0.266 nan 8.270 nan 0.000 0.489 64 F N -0.312 119.604 119.950 -0.056 0.000 2.539 64 F HA 0.386 4.945 4.527 0.054 0.000 0.318 64 F C 0.002 175.743 175.800 -0.100 0.000 1.135 64 F CA -1.166 56.782 58.000 -0.088 0.000 0.915 64 F CB 1.676 40.620 39.000 -0.094 0.000 1.176 64 F HN -0.362 nan 8.300 nan 0.000 0.440 65 K N 5.067 125.459 120.400 -0.015 0.000 2.263 65 K HA 0.534 4.887 4.320 0.055 0.000 0.272 65 K C -0.696 175.834 176.600 -0.117 0.000 1.033 65 K CA -0.333 55.897 56.287 -0.095 0.000 0.884 65 K CB 0.640 33.064 32.500 -0.127 0.000 1.107 65 K HN 0.668 nan 8.250 nan 0.000 0.460 66 I N 6.634 127.096 120.570 -0.181 0.000 2.496 66 I HA 0.125 4.328 4.170 0.055 0.000 0.285 66 I C -1.873 174.132 176.117 -0.187 0.000 1.080 66 I CA -2.224 58.962 61.300 -0.191 0.000 1.404 66 I CB 0.932 38.800 38.000 -0.220 0.000 1.403 66 I HN 0.477 nan 8.210 nan 0.000 0.539 67 P HA 0.015 nan 4.420 nan 0.000 0.265 67 P C -0.046 177.209 177.300 -0.076 0.000 1.193 67 P CA 0.032 63.069 63.100 -0.106 0.000 0.765 67 P CB 0.582 32.229 31.700 -0.088 0.000 0.823 68 D N 1.699 122.053 120.400 -0.076 0.000 2.133 68 D HA -0.222 4.451 4.640 0.055 0.000 0.192 68 D C 1.383 177.690 176.300 0.012 0.000 1.001 68 D CA 1.702 55.677 54.000 -0.042 0.000 0.844 68 D CB -0.602 40.174 40.800 -0.040 0.000 0.944 68 D HN 0.610 nan 8.370 nan 0.000 0.447 69 N N -0.358 118.350 118.700 0.012 0.000 2.571 69 N HA -0.055 4.718 4.740 0.055 0.000 0.189 69 N C 1.443 177.006 175.510 0.090 0.000 1.154 69 N CA 0.173 53.248 53.050 0.040 0.000 0.907 69 N CB 0.142 38.643 38.487 0.023 0.000 0.977 69 N HN 0.259 nan 8.380 nan 0.000 0.449 70 I N 0.372 121.007 120.570 0.108 0.000 2.947 70 I HA 0.001 4.204 4.170 0.055 0.000 0.263 70 I C 2.113 178.457 176.117 0.378 0.000 1.130 70 I CA 0.090 61.530 61.300 0.233 0.000 1.448 70 I CB 0.065 38.118 38.000 0.088 0.000 1.222 70 I HN 0.054 nan 8.210 nan 0.000 0.453 71 I N 1.454 122.175 120.570 0.252 0.000 2.151 71 I HA -0.333 3.870 4.170 0.055 0.000 0.243 71 I C 2.524 178.819 176.117 0.298 0.000 1.080 71 I CA 2.249 63.730 61.300 0.301 0.000 1.339 71 I CB -0.672 37.432 38.000 0.173 0.000 1.039 71 I HN 0.370 nan 8.210 nan 0.000 0.409 72 T N -1.730 112.931 114.554 0.178 0.000 3.077 72 T HA -0.161 4.221 4.350 0.055 0.000 0.269 72 T C 1.483 176.236 174.700 0.087 0.000 1.146 72 T CA 0.797 62.968 62.100 0.118 0.000 1.091 72 T CB -0.333 68.575 68.868 0.067 0.000 0.892 72 T HN 0.483 nan 8.240 nan 0.000 0.533 73 Q N -0.344 119.522 119.800 0.110 0.000 2.451 73 Q HA 0.175 4.548 4.340 0.055 0.000 0.206 73 Q C -0.593 175.144 176.000 -0.438 0.000 0.947 73 Q CA 0.348 56.075 55.803 -0.126 0.000 0.937 73 Q CB 0.110 28.758 28.738 -0.151 0.000 1.025 73 Q HN 0.649 nan 8.270 nan 0.000 0.511 74 Y N 0.159 120.552 120.300 0.156 0.000 2.468 74 Y HA 0.345 4.927 4.550 0.054 0.000 0.342 74 Y C 0.008 175.970 175.900 0.104 0.000 1.021 74 Y CA -0.968 57.229 58.100 0.161 0.000 1.079 74 Y CB 1.489 40.096 38.460 0.244 0.000 1.226 74 Y HN -0.148 nan 8.280 nan 0.000 0.460 75 Q N 1.341 121.269 119.800 0.213 0.000 2.257 75 Q HA 0.346 4.719 4.340 0.055 0.000 0.262 75 Q C -0.504 175.575 176.000 0.132 0.000 0.997 75 Q CA -0.873 55.006 55.803 0.127 0.000 0.873 75 Q CB 1.097 29.888 28.738 0.089 0.000 1.312 75 Q HN 0.688 nan 8.270 nan 0.000 0.450 76 N N 0.527 119.260 118.700 0.055 0.000 2.735 76 N HA -0.225 4.547 4.740 0.055 0.000 0.248 76 N C -1.093 174.374 175.510 -0.071 0.000 1.083 76 N CA 0.828 53.913 53.050 0.058 0.000 0.703 76 N CB -1.310 37.306 38.487 0.215 0.000 1.005 76 N HN 0.576 nan 8.380 nan 0.000 0.550 77 I N 1.112 121.559 120.570 -0.205 0.000 2.354 77 I HA 0.224 4.427 4.170 0.055 0.000 0.292 77 I C -0.038 175.796 176.117 -0.471 0.000 0.989 77 I CA -0.503 60.681 61.300 -0.194 0.000 1.188 77 I CB 0.656 38.680 38.000 0.040 0.000 1.342 77 I HN 0.064 nan 8.210 nan 0.000 0.457 78 H N 6.522 125.455 119.070 -0.228 0.000 2.797 78 H HA 0.477 5.068 4.556 0.058 0.000 0.372 78 H C -1.542 173.454 175.328 -0.553 0.000 1.168 78 H CA -0.494 55.437 56.048 -0.195 0.000 1.163 78 H CB 2.036 31.752 29.762 -0.076 0.000 1.778 78 H HN 0.390 nan 8.280 nan 0.000 0.551 79 F N 0.411 120.487 119.950 0.210 0.000 2.556 79 F HA 0.418 4.977 4.527 0.053 0.000 0.314 79 F C -0.170 175.682 175.800 0.086 0.000 1.106 79 F CA -0.841 57.245 58.000 0.142 0.000 0.911 79 F CB 2.278 41.330 39.000 0.087 0.000 1.190 79 F HN 0.135 nan 8.300 nan 0.000 0.448 80 V N 2.985 123.019 119.914 0.201 0.000 2.841 80 V HA 0.465 4.618 4.120 0.055 0.000 0.310 80 V C -0.809 175.337 176.094 0.087 0.000 1.090 80 V CA -0.455 61.899 62.300 0.090 0.000 0.930 80 V CB 2.225 34.046 31.823 -0.004 0.000 1.014 80 V HN 0.812 nan 8.190 nan 0.000 0.425 81 E N 3.768 123.996 120.200 0.047 0.000 2.319 81 E HA 0.456 4.839 4.350 0.055 0.000 0.268 81 E C -1.445 175.160 176.600 0.009 0.000 1.050 81 E CA -0.703 55.718 56.400 0.034 0.000 0.878 81 E CB 1.768 31.479 29.700 0.018 0.000 1.066 81 E HN 0.351 nan 8.360 nan 0.000 0.406 82 L N 2.663 123.892 121.223 0.010 0.000 2.307 82 L HA 0.350 4.723 4.340 0.055 0.000 0.284 82 L C -0.512 176.352 176.870 -0.012 0.000 1.023 82 L CA -0.244 54.594 54.840 -0.004 0.000 0.810 82 L CB 1.205 43.265 42.059 0.001 0.000 1.231 82 L HN 0.350 nan 8.230 nan 0.000 0.423 83 K N 2.833 123.224 120.400 -0.014 0.000 2.463 83 K HA 0.400 4.753 4.320 0.055 0.000 0.255 83 K C -0.885 175.709 176.600 -0.010 0.000 0.942 83 K CA -0.303 55.977 56.287 -0.012 0.000 0.814 83 K CB 0.908 33.404 32.500 -0.008 0.000 1.122 83 K HN 0.583 nan 8.250 nan 0.000 0.425 84 D N 4.040 124.430 120.400 -0.016 0.000 2.697 84 D HA -0.238 4.435 4.640 0.055 0.000 0.235 84 D C -0.936 175.350 176.300 -0.024 0.000 1.167 84 D CA 1.460 55.451 54.000 -0.015 0.000 0.656 84 D CB -1.274 39.531 40.800 0.010 0.000 1.025 84 D HN 1.018 nan 8.370 nan 0.000 0.419 85 N N -1.175 117.484 118.700 -0.069 0.000 2.747 85 N HA -0.278 4.495 4.740 0.055 0.000 0.249 85 N C 0.128 175.637 175.510 -0.002 0.000 1.107 85 N CA 1.252 54.244 53.050 -0.098 0.000 0.707 85 N CB -0.483 37.887 38.487 -0.194 0.000 1.054 85 N HN 0.627 nan 8.380 nan 0.000 0.555 86 R N -0.141 120.363 120.500 0.005 0.000 2.566 86 R HA 0.401 4.774 4.340 0.055 0.000 0.271 86 R C -3.225 173.072 176.300 -0.005 0.000 1.071 86 R CA -1.749 54.366 56.100 0.025 0.000 0.915 86 R CB 1.860 32.189 30.300 0.047 0.000 1.228 86 R HN -0.231 nan 8.270 nan 0.000 0.449 87 P HA 0.066 nan 4.420 nan 0.000 0.272 87 P C -0.355 176.886 177.300 -0.099 0.000 1.223 87 P CA -0.130 62.935 63.100 -0.059 0.000 0.784 87 P CB 0.901 32.549 31.700 -0.086 0.000 0.923 88 T N -2.057 112.431 114.554 -0.110 0.000 2.770 88 T HA 0.185 4.567 4.350 0.055 0.000 0.281 88 T C 1.066 175.604 174.700 -0.270 0.000 0.981 88 T CA -0.370 61.653 62.100 -0.129 0.000 0.955 88 T CB 0.287 69.109 68.868 -0.076 0.000 1.060 88 T HN 0.340 nan 8.240 nan 0.000 0.531 89 E N 0.099 120.139 120.200 -0.267 0.000 2.338 89 E HA -0.002 4.381 4.350 0.055 0.000 0.197 89 E C 2.242 178.619 176.600 -0.371 0.000 1.007 89 E CA 0.607 56.723 56.400 -0.474 0.000 0.849 89 E CB -0.394 29.210 29.700 -0.159 0.000 0.774 89 E HN 0.756 nan 8.360 nan 0.000 0.506 90 A N 1.054 123.761 122.820 -0.190 0.000 2.186 90 A HA -0.175 4.178 4.320 0.055 0.000 0.219 90 A C 2.051 179.542 177.584 -0.154 0.000 1.159 90 A CA 0.749 52.723 52.037 -0.104 0.000 0.680 90 A CB -0.383 18.589 19.000 -0.046 0.000 0.787 90 A HN 0.242 nan 8.150 nan 0.000 0.467 91 L N -1.451 119.588 121.223 -0.308 0.000 2.093 91 L HA -0.047 4.326 4.340 0.055 0.000 0.208 91 L C 1.930 178.672 176.870 -0.213 0.000 1.085 91 L CA 1.882 56.542 54.840 -0.300 0.000 0.755 91 L CB -0.639 41.201 42.059 -0.366 0.000 0.904 91 L HN 0.357 nan 8.230 nan 0.000 0.435 92 F N -0.710 119.200 119.950 -0.067 0.000 2.325 92 F HA -0.064 4.482 4.527 0.033 0.000 0.299 92 F C 2.448 178.237 175.800 -0.017 0.000 1.090 92 F CA 1.170 59.149 58.000 -0.035 0.000 1.392 92 F CB -1.990 37.130 39.000 0.200 0.000 1.053 92 F HN 0.023 nan 8.300 nan 0.000 0.521 93 T N 0.903 115.545 114.554 0.146 0.000 2.746 93 T HA -0.146 4.237 4.350 0.055 0.000 0.267 93 T C 2.228 176.931 174.700 0.006 0.000 1.039 93 T CA 1.461 63.611 62.100 0.084 0.000 1.142 93 T CB -0.458 68.441 68.868 0.052 0.000 0.866 93 T HN 0.167 nan 8.240 nan 0.000 0.444 94 I N 0.737 121.261 120.570 -0.077 0.000 2.163 94 I HA -0.125 4.077 4.170 0.055 0.000 0.240 94 I C 2.153 178.186 176.117 -0.142 0.000 1.081 94 I CA 0.844 62.025 61.300 -0.197 0.000 1.353 94 I CB -0.324 37.478 38.000 -0.330 0.000 1.054 94 I HN 0.157 nan 8.210 nan 0.000 0.407 95 L N 0.181 121.279 121.223 -0.209 0.000 2.083 95 L HA -0.222 4.151 4.340 0.055 0.000 0.209 95 L C 2.111 178.971 176.870 -0.016 0.000 1.083 95 L CA 1.795 56.480 54.840 -0.257 0.000 0.752 95 L CB -1.527 40.015 42.059 -0.861 0.000 0.899 95 L HN 0.297 nan 8.230 nan 0.000 0.433 96 D N -0.168 120.261 120.400 0.048 0.000 2.221 96 D HA -0.208 4.465 4.640 0.055 0.000 0.204 96 D C 2.167 178.490 176.300 0.039 0.000 0.982 96 D CA 0.793 54.864 54.000 0.119 0.000 0.857 96 D CB -0.006 40.879 40.800 0.140 0.000 0.934 96 D HN 0.478 nan 8.370 nan 0.000 0.475 97 Q N -0.771 119.022 119.800 -0.012 0.000 2.439 97 Q HA -0.131 4.242 4.340 0.055 0.000 0.211 97 Q C -0.012 175.777 176.000 -0.350 0.000 0.978 97 Q CA 0.686 56.383 55.803 -0.177 0.000 0.897 97 Q CB -0.011 28.579 28.738 -0.247 0.000 0.956 97 Q HN 0.453 nan 8.270 nan 0.000 0.483 98 Y N 1.186 121.448 120.300 -0.062 0.000 2.721 98 Y HA 0.293 4.874 4.550 0.051 0.000 0.328 98 Y C -2.016 173.858 175.900 -0.043 0.000 1.003 98 Y CA -2.760 55.306 58.100 -0.057 0.000 1.275 98 Y CB 0.676 39.082 38.460 -0.089 0.000 1.097 98 Y HN 0.042 nan 8.280 nan 0.000 0.514 99 P HA 0.476 nan 4.420 nan 0.000 0.278 99 P C 0.521 177.840 177.300 0.032 0.000 1.266 99 P CA 0.168 63.283 63.100 0.024 0.000 0.807 99 P CB 1.635 33.337 31.700 0.003 0.000 1.094 100 G N 0.664 109.477 108.800 0.021 0.000 2.741 100 G HA2 -0.221 3.772 3.960 0.055 0.000 0.222 100 G HA3 -0.221 3.772 3.960 0.055 0.000 0.222 100 G C -0.363 174.553 174.900 0.026 0.000 1.364 100 G CA -0.618 44.496 45.100 0.022 0.000 0.866 100 G HN 0.805 nan 8.290 nan 0.000 0.555 101 N N 0.962 119.674 118.700 0.021 0.000 2.416 101 N HA 0.353 5.126 4.740 0.055 0.000 0.265 101 N C 0.443 175.958 175.510 0.008 0.000 1.195 101 N CA 0.672 53.731 53.050 0.015 0.000 0.943 101 N CB -0.214 38.279 38.487 0.011 0.000 1.115 101 N HN 0.733 nan 8.380 nan 0.000 0.481 102 I N -0.251 120.319 120.570 0.001 0.000 2.740 102 I HA 0.577 4.780 4.170 0.055 0.000 0.303 102 I C -0.638 175.455 176.117 -0.039 0.000 1.044 102 I CA -0.863 60.418 61.300 -0.031 0.000 1.064 102 I CB 2.246 40.213 38.000 -0.055 0.000 1.249 102 I HN 0.172 nan 8.210 nan 0.000 0.433 103 E N 5.420 125.580 120.200 -0.067 0.000 2.234 103 E HA 0.564 4.947 4.350 0.055 0.000 0.266 103 E C -1.427 175.105 176.600 -0.113 0.000 0.877 103 E CA -0.802 55.558 56.400 -0.068 0.000 0.758 103 E CB 3.063 32.734 29.700 -0.047 0.000 1.170 103 E HN 0.519 nan 8.360 nan 0.000 0.415 104 L N 2.635 123.777 121.223 -0.135 0.000 2.282 104 L HA 0.410 4.783 4.340 0.055 0.000 0.288 104 L C 0.050 176.800 176.870 -0.200 0.000 1.033 104 L CA -0.589 54.141 54.840 -0.185 0.000 0.807 104 L CB 1.066 43.003 42.059 -0.203 0.000 1.209 104 L HN 0.481 nan 8.230 nan 0.000 0.423 105 N N 4.439 123.024 118.700 -0.191 0.000 2.501 105 N HA 0.518 5.291 4.740 0.055 0.000 0.245 105 N C -1.190 174.185 175.510 -0.225 0.000 0.974 105 N CA -0.511 52.425 53.050 -0.191 0.000 0.941 105 N CB 0.843 39.266 38.487 -0.106 0.000 1.122 105 N HN 0.501 nan 8.380 nan 0.000 0.507 106 I N 2.889 123.283 120.570 -0.294 0.000 2.433 106 I HA 0.271 4.474 4.170 0.055 0.000 0.292 106 I C -0.254 175.674 176.117 -0.315 0.000 1.001 106 I CA -0.785 60.354 61.300 -0.268 0.000 1.119 106 I CB 1.643 39.453 38.000 -0.316 0.000 1.289 106 I HN 0.396 nan 8.210 nan 0.000 0.438 107 H N 6.939 125.907 119.070 -0.169 0.000 2.481 107 H HA 0.651 5.240 4.556 0.054 0.000 0.333 107 H C -0.888 174.470 175.328 0.051 0.000 1.066 107 H CA -0.614 55.457 56.048 0.038 0.000 1.209 107 H CB 2.142 32.025 29.762 0.201 0.000 1.445 107 H HN 0.330 nan 8.280 nan 0.000 0.488 108 L N 2.189 123.507 121.223 0.159 0.000 2.393 108 L HA 0.233 4.606 4.340 0.055 0.000 0.260 108 L C 0.341 177.340 176.870 0.216 0.000 1.002 108 L CA -1.023 53.878 54.840 0.101 0.000 0.818 108 L CB 2.428 44.426 42.059 -0.101 0.000 1.369 108 L HN 0.558 nan 8.230 nan 0.000 0.412 109 N N 1.478 120.297 118.700 0.198 0.000 2.497 109 N HA 0.181 4.954 4.740 0.055 0.000 0.271 109 N C 0.684 176.301 175.510 0.178 0.000 1.142 109 N CA 0.163 53.355 53.050 0.235 0.000 0.965 109 N CB 1.344 39.992 38.487 0.268 0.000 1.077 109 N HN 0.596 nan 8.380 nan 0.000 0.462 110 I N 3.020 123.700 120.570 0.182 0.000 2.163 110 I HA -0.241 3.962 4.170 0.055 0.000 0.240 110 I C 2.264 178.412 176.117 0.052 0.000 1.081 110 I CA 1.151 62.530 61.300 0.131 0.000 1.353 110 I CB -0.288 37.825 38.000 0.189 0.000 1.054 110 I HN 0.674 nan 8.210 nan 0.000 0.407 111 A N 0.166 122.984 122.820 -0.003 0.000 1.908 111 A HA -0.261 4.092 4.320 0.055 0.000 0.218 111 A C 1.764 179.202 177.584 -0.244 0.000 1.181 111 A CA 1.895 53.828 52.037 -0.173 0.000 0.627 111 A CB -1.102 17.719 19.000 -0.299 0.000 0.818 111 A HN 0.580 nan 8.150 nan 0.000 0.445 112 H N -0.499 118.633 119.070 0.103 0.000 2.520 112 H HA 0.156 4.745 4.556 0.055 0.000 0.284 112 H C 2.084 177.488 175.328 0.126 0.000 1.037 112 H CA 0.349 56.460 56.048 0.104 0.000 1.168 112 H CB 0.291 30.108 29.762 0.091 0.000 1.497 112 H HN 0.650 nan 8.280 nan 0.000 0.547 113 S N -0.237 115.591 115.700 0.213 0.000 2.387 113 S HA -0.205 4.297 4.470 0.055 0.000 0.230 113 S C 2.125 176.921 174.600 0.327 0.000 1.035 113 S CA 1.392 59.703 58.200 0.185 0.000 1.014 113 S CB -0.780 62.528 63.200 0.179 0.000 0.836 113 S HN 0.214 nan 8.310 nan 0.000 0.466 114 V N 1.966 122.155 119.914 0.458 0.000 2.261 114 V HA -0.158 3.995 4.120 0.055 0.000 0.246 114 V C 3.087 179.422 176.094 0.401 0.000 1.047 114 V CA 1.930 64.548 62.300 0.530 0.000 1.015 114 V CB -0.850 31.148 31.823 0.291 0.000 0.642 114 V HN 0.437 nan 8.190 nan 0.000 0.446 115 Q N -0.313 119.651 119.800 0.273 0.000 2.084 115 Q HA -0.102 4.271 4.340 0.055 0.000 0.202 115 Q C 2.291 178.406 176.000 0.193 0.000 0.978 115 Q CA 1.549 57.483 55.803 0.219 0.000 0.844 115 Q CB -0.600 28.241 28.738 0.171 0.000 0.898 115 Q HN 0.551 nan 8.270 nan 0.000 0.426 116 L N 0.028 121.351 121.223 0.166 0.000 2.042 116 L HA -0.156 4.217 4.340 0.055 0.000 0.210 116 L C 2.378 179.290 176.870 0.070 0.000 1.076 116 L CA 0.975 55.872 54.840 0.095 0.000 0.749 116 L CB -0.318 41.785 42.059 0.074 0.000 0.893 116 L HN 0.181 nan 8.230 nan 0.000 0.432 117 I N -0.747 119.875 120.570 0.086 0.000 3.251 117 I HA -0.198 4.005 4.170 0.055 0.000 0.277 117 I C 2.648 178.844 176.117 0.130 0.000 1.268 117 I CA 0.339 61.658 61.300 0.031 0.000 1.449 117 I CB -0.110 37.829 38.000 -0.102 0.000 1.083 117 I HN 0.230 nan 8.210 nan 0.000 0.464 118 R N 1.809 122.463 120.500 0.257 0.000 2.143 118 R HA -0.217 4.156 4.340 0.055 0.000 0.239 118 R C -0.599 175.837 176.300 0.227 0.000 1.126 118 R CA 2.786 59.075 56.100 0.314 0.000 0.927 118 R CB -1.548 28.953 30.300 0.335 0.000 0.860 118 R HN 0.262 nan 8.270 nan 0.000 0.433 119 P HA -0.146 nan 4.420 nan 0.000 0.218 119 P C 1.464 178.987 177.300 0.371 0.000 1.149 119 P CA 1.480 64.777 63.100 0.328 0.000 0.817 119 P CB -0.183 31.581 31.700 0.106 0.000 0.785 120 I N -0.538 120.141 120.570 0.182 0.000 2.179 120 I HA -0.223 3.980 4.170 0.055 0.000 0.242 120 I C 2.648 178.854 176.117 0.149 0.000 1.088 120 I CA 1.297 62.673 61.300 0.127 0.000 1.357 120 I CB -0.731 37.254 38.000 -0.025 0.000 1.051 120 I HN -0.147 nan 8.210 nan 0.000 0.409 121 L N 0.579 121.858 121.223 0.094 0.000 2.083 121 L HA -0.186 4.187 4.340 0.055 0.000 0.209 121 L C 2.872 179.801 176.870 0.099 0.000 1.083 121 L CA 1.254 56.128 54.840 0.057 0.000 0.752 121 L CB -0.770 41.227 42.059 -0.104 0.000 0.899 121 L HN 0.242 nan 8.230 nan 0.000 0.433 122 A N -0.741 122.156 122.820 0.129 0.000 1.933 122 A HA -0.277 4.075 4.320 0.055 0.000 0.218 122 A C 2.187 179.826 177.584 0.091 0.000 1.175 122 A CA 1.505 53.608 52.037 0.111 0.000 0.628 122 A CB -0.805 18.298 19.000 0.173 0.000 0.814 122 A HN 0.462 nan 8.150 nan 0.000 0.444 123 Y N -0.005 120.314 120.300 0.031 0.000 2.263 123 Y HA -0.127 4.449 4.550 0.043 0.000 0.292 123 Y C 2.538 178.517 175.900 0.131 0.000 1.130 123 Y CA 1.893 59.987 58.100 -0.011 0.000 1.179 123 Y CB -0.203 38.304 38.460 0.078 0.000 0.998 123 Y HN 0.308 nan 8.280 nan 0.000 0.532 124 R N -0.700 119.955 120.500 0.259 0.000 2.105 124 R HA -0.233 4.140 4.340 0.055 0.000 0.239 124 R C 1.740 178.109 176.300 0.115 0.000 1.135 124 R CA 1.780 57.994 56.100 0.189 0.000 0.967 124 R CB -0.726 29.678 30.300 0.173 0.000 0.861 124 R HN 0.412 nan 8.270 nan 0.000 0.442 125 F N 0.828 120.749 119.950 -0.048 0.000 2.816 125 F HA 0.081 4.637 4.527 0.048 0.000 0.302 125 F C 0.823 176.500 175.800 -0.205 0.000 1.178 125 F CA 0.853 58.794 58.000 -0.097 0.000 1.421 125 F CB 0.386 39.338 39.000 -0.079 0.000 1.114 125 F HN -0.084 nan 8.300 nan 0.000 0.573 126 K N -1.083 119.156 120.400 -0.268 0.000 2.413 126 K HA 0.168 4.521 4.320 0.055 0.000 0.204 126 K C -0.284 175.707 176.600 -1.016 0.000 1.041 126 K CA 0.094 56.005 56.287 -0.627 0.000 1.082 126 K CB 0.416 32.470 32.500 -0.744 0.000 0.871 126 K HN 0.275 nan 8.250 nan 0.000 0.535 127 H N 0.432 119.343 119.070 -0.265 0.000 3.233 127 H HA 0.088 4.671 4.556 0.044 0.000 0.232 127 H C 0.804 176.052 175.328 -0.133 0.000 1.322 127 H CA -0.341 55.583 56.048 -0.206 0.000 1.043 127 H CB 0.624 30.242 29.762 -0.240 0.000 2.572 127 H HN -0.051 nan 8.280 nan 0.000 0.597 128 L N 1.489 122.649 121.223 -0.105 0.000 2.351 128 L HA -0.171 4.202 4.340 0.055 0.000 0.220 128 L C 1.718 178.567 176.870 -0.035 0.000 1.127 128 L CA 1.840 56.633 54.840 -0.078 0.000 0.786 128 L CB -0.641 41.320 42.059 -0.163 0.000 0.914 128 L HN 0.477 nan 8.230 nan 0.000 0.443 129 D N -1.853 118.529 120.400 -0.031 0.000 2.301 129 D HA -0.099 4.573 4.640 0.055 0.000 0.206 129 D C 2.109 178.413 176.300 0.008 0.000 0.979 129 D CA 0.499 54.490 54.000 -0.015 0.000 0.874 129 D CB -0.099 40.686 40.800 -0.025 0.000 0.968 129 D HN 0.229 nan 8.370 nan 0.000 0.510 130 R N 0.291 120.808 120.500 0.028 0.000 2.087 130 R HA 0.159 4.532 4.340 0.055 0.000 0.216 130 R C 0.510 176.832 176.300 0.037 0.000 1.114 130 R CA 0.639 56.760 56.100 0.034 0.000 1.002 130 R CB 0.485 30.811 30.300 0.044 0.000 0.903 130 R HN 0.217 nan 8.270 nan 0.000 0.445 131 V N 0.733 120.683 119.914 0.060 0.000 2.370 131 V HA 0.511 4.664 4.120 0.055 0.000 0.283 131 V C -0.232 175.894 176.094 0.054 0.000 1.023 131 V CA -0.742 61.597 62.300 0.064 0.000 0.857 131 V CB 1.479 33.383 31.823 0.134 0.000 0.985 131 V HN 0.236 nan 8.190 nan 0.000 0.443 132 S N 5.132 120.848 115.700 0.026 0.000 2.677 132 S HA 0.782 5.285 4.470 0.055 0.000 0.304 132 S C -0.527 174.060 174.600 -0.022 0.000 1.108 132 S CA -1.002 57.217 58.200 0.032 0.000 0.944 132 S CB 1.909 65.131 63.200 0.037 0.000 1.127 132 S HN 0.760 nan 8.310 nan 0.000 0.511 133 I N 1.922 122.472 120.570 -0.033 0.000 2.312 133 I HA 0.263 4.466 4.170 0.055 0.000 0.290 133 I C 1.452 177.505 176.117 -0.107 0.000 1.008 133 I CA -0.397 60.787 61.300 -0.193 0.000 1.226 133 I CB 1.578 39.224 38.000 -0.590 0.000 1.371 133 I HN 0.905 nan 8.210 nan 0.000 0.468 134 Q N 5.033 124.756 119.800 -0.128 0.000 2.096 134 Q HA -0.072 4.301 4.340 0.055 0.000 0.197 134 Q C 0.233 176.179 176.000 -0.090 0.000 0.964 134 Q CA 1.210 56.964 55.803 -0.082 0.000 0.838 134 Q CB 0.535 29.224 28.738 -0.082 0.000 0.906 134 Q HN 0.681 nan 8.270 nan 0.000 0.444 135 Q N -0.601 119.100 119.800 -0.165 0.000 2.545 135 Q HA 0.424 4.797 4.340 0.055 0.000 0.273 135 Q C -2.239 173.586 176.000 -0.292 0.000 0.975 135 Q CA -0.362 55.333 55.803 -0.180 0.000 0.876 135 Q CB 1.444 30.082 28.738 -0.166 0.000 1.472 135 Q HN 0.235 nan 8.270 nan 0.000 0.389 136 L N 2.857 123.898 121.223 -0.303 0.000 2.365 136 L HA 0.671 5.044 4.340 0.055 0.000 0.273 136 L C -0.815 175.789 176.870 -0.444 0.000 1.000 136 L CA -0.976 53.618 54.840 -0.411 0.000 0.819 136 L CB 2.235 44.031 42.059 -0.439 0.000 1.284 136 L HN 0.676 nan 8.230 nan 0.000 0.418 137 N N 2.706 121.092 118.700 -0.523 0.000 2.354 137 N HA 0.718 5.491 4.740 0.055 0.000 0.287 137 N C -1.548 173.643 175.510 -0.532 0.000 1.016 137 N CA -0.401 52.337 53.050 -0.520 0.000 0.871 137 N CB 1.990 40.151 38.487 -0.544 0.000 1.299 137 N HN 0.278 nan 8.380 nan 0.000 0.482 138 L N 2.577 123.439 121.223 -0.600 0.000 2.381 138 L HA 0.584 4.956 4.340 0.055 0.000 0.268 138 L C -1.210 175.439 176.870 -0.367 0.000 0.997 138 L CA -0.698 53.915 54.840 -0.378 0.000 0.818 138 L CB 1.072 42.950 42.059 -0.302 0.000 1.310 138 L HN 0.503 nan 8.230 nan 0.000 0.416 139 Y N -0.732 119.665 120.300 0.161 0.000 2.545 139 Y HA 0.456 5.038 4.550 0.054 0.000 0.348 139 Y C -0.253 175.801 175.900 0.256 0.000 1.002 139 Y CA -1.301 56.929 58.100 0.215 0.000 1.039 139 Y CB 1.412 39.944 38.460 0.120 0.000 1.271 139 Y HN 0.444 nan 8.280 nan 0.000 0.467 140 D N 1.868 122.562 120.400 0.490 0.000 2.455 140 D HA -0.083 4.589 4.640 0.055 0.000 0.241 140 D C 0.765 177.277 176.300 0.355 0.000 1.138 140 D CA 0.481 54.748 54.000 0.445 0.000 0.877 140 D CB 0.955 42.097 40.800 0.571 0.000 1.187 140 D HN 0.745 nan 8.370 nan 0.000 0.451 141 D N 1.844 122.412 120.400 0.280 0.000 2.117 141 D HA -0.101 4.572 4.640 0.055 0.000 0.197 141 D C 0.899 177.350 176.300 0.251 0.000 0.987 141 D CA 1.285 55.427 54.000 0.237 0.000 0.829 141 D CB 0.602 41.505 40.800 0.172 0.000 0.961 141 D HN 0.603 nan 8.370 nan 0.000 0.460 142 G N -0.363 108.609 108.800 0.287 0.000 2.591 142 G HA2 0.071 4.064 3.960 0.055 0.000 0.104 142 G HA3 0.071 4.064 3.960 0.055 0.000 0.104 142 G C -0.465 174.608 174.900 0.289 0.000 1.097 142 G CA 0.252 45.545 45.100 0.321 0.000 1.076 142 G HN 0.391 nan 8.290 nan 0.000 0.485 146 Y N 0.386 120.525 120.300 -0.268 0.000 2.286 146 Y HA -0.042 4.541 4.550 0.055 0.000 0.293 146 Y C 2.184 177.867 175.900 -0.361 0.000 1.124 146 Y CA 1.187 58.978 58.100 -0.515 0.000 1.178 146 Y CB -0.089 37.975 38.460 -0.661 0.000 1.010 146 Y HN -0.070 nan 8.280 nan 0.000 0.536 147 V N 0.148 119.978 119.914 -0.141 0.000 2.515 147 V HA -0.255 3.898 4.120 0.055 0.000 0.250 147 V C 1.570 177.634 176.094 -0.049 0.000 1.058 147 V CA 2.030 64.285 62.300 -0.075 0.000 1.064 147 V CB -0.440 31.355 31.823 -0.047 0.000 0.675 147 V HN 0.372 nan 8.190 nan 0.000 0.461 148 D N -0.031 120.332 120.400 -0.060 0.000 2.123 148 D HA -0.073 4.600 4.640 0.055 0.000 0.200 148 D C 2.120 178.414 176.300 -0.010 0.000 0.976 148 D CA 1.048 55.031 54.000 -0.030 0.000 0.831 148 D CB -0.234 40.552 40.800 -0.023 0.000 0.974 148 D HN 0.315 nan 8.370 nan 0.000 0.469 149 L N 1.025 122.231 121.223 -0.029 0.000 2.131 149 L HA -0.140 4.233 4.340 0.055 0.000 0.210 149 L C 2.333 179.326 176.870 0.206 0.000 1.092 149 L CA 0.928 55.809 54.840 0.069 0.000 0.759 149 L CB -0.239 41.805 42.059 -0.026 0.000 0.903 149 L HN -0.038 nan 8.230 nan 0.000 0.435 150 E N 0.586 120.870 120.200 0.140 0.000 2.118 150 E HA -0.225 4.158 4.350 0.055 0.000 0.195 150 E C 2.044 178.586 176.600 -0.096 0.000 0.992 150 E CA 1.133 57.568 56.400 0.057 0.000 0.804 150 E CB -0.137 29.593 29.700 0.051 0.000 0.741 150 E HN 0.511 nan 8.360 nan 0.000 0.458 151 K N 0.665 121.034 120.400 -0.051 0.000 2.360 151 K HA -0.103 4.250 4.320 0.055 0.000 0.201 151 K C 1.258 177.802 176.600 -0.094 0.000 1.046 151 K CA 0.651 56.896 56.287 -0.070 0.000 0.945 151 K CB 0.125 32.604 32.500 -0.034 0.000 0.750 151 K HN 0.018 nan 8.250 nan 0.000 0.464 152 E N 0.614 120.765 120.200 -0.082 0.000 2.463 152 E HA -0.057 4.326 4.350 0.055 0.000 0.193 152 E C 1.210 177.687 176.600 -0.205 0.000 1.041 152 E CA 0.192 56.563 56.400 -0.048 0.000 0.879 152 E CB 0.500 30.256 29.700 0.093 0.000 0.997 152 E HN 0.371 nan 8.360 nan 0.000 0.478 153 E N 1.410 121.260 120.200 -0.582 0.000 2.118 153 E HA -0.167 4.216 4.350 0.055 0.000 0.195 153 E C 0.351 176.674 176.600 -0.461 0.000 0.992 153 E CA 1.160 56.914 56.400 -1.075 0.000 0.804 153 E CB 0.012 29.094 29.700 -1.030 0.000 0.741 153 E HN 0.195 nan 8.360 nan 0.000 0.458 154 N N 0.288 118.842 118.700 -0.244 0.000 2.378 154 N HA 0.073 4.845 4.740 0.055 0.000 0.243 154 N C -0.945 174.527 175.510 -0.065 0.000 1.137 154 N CA -0.078 52.894 53.050 -0.130 0.000 0.862 154 N CB 0.598 39.024 38.487 -0.103 0.000 1.116 154 N HN -0.034 nan 8.380 nan 0.000 0.499 155 K N 0.252 120.629 120.400 -0.038 0.000 2.185 155 K HA 0.171 4.524 4.320 0.055 0.000 0.240 155 K C -0.768 175.847 176.600 0.025 0.000 0.983 155 K CA -0.793 55.493 56.287 -0.002 0.000 0.873 155 K CB 1.326 33.831 32.500 0.009 0.000 1.118 155 K HN -0.033 nan 8.250 nan 0.000 0.441 156 D N 2.700 123.108 120.400 0.013 0.000 2.374 156 D HA 0.042 4.715 4.640 0.055 0.000 0.240 156 D C 1.028 177.334 176.300 0.009 0.000 1.229 156 D CA -0.290 53.718 54.000 0.013 0.000 0.895 156 D CB 0.449 41.250 40.800 0.001 0.000 1.046 156 D HN 0.319 nan 8.370 nan 0.000 0.498 157 I N 2.638 123.220 120.570 0.021 0.000 2.226 157 I HA -0.223 3.980 4.170 0.055 0.000 0.245 157 I C 2.348 178.433 176.117 -0.052 0.000 1.100 157 I CA 0.667 61.962 61.300 -0.008 0.000 1.374 157 I CB -1.365 36.627 38.000 -0.013 0.000 1.057 157 I HN 0.382 nan 8.210 nan 0.000 0.413 158 S N 1.132 116.807 115.700 -0.042 0.000 2.365 158 S HA -0.217 4.286 4.470 0.055 0.000 0.225 158 S C 2.182 176.748 174.600 -0.057 0.000 1.039 158 S CA 1.913 60.082 58.200 -0.052 0.000 1.033 158 S CB -0.174 63.012 63.200 -0.023 0.000 0.887 158 S HN 0.488 nan 8.310 nan 0.000 0.447 159 A N 0.954 123.753 122.820 -0.035 0.000 2.014 159 A HA 0.061 4.413 4.320 0.055 0.000 0.218 159 A C 2.103 179.665 177.584 -0.038 0.000 1.163 159 A CA 1.114 53.133 52.037 -0.031 0.000 0.652 159 A CB -0.473 18.517 19.000 -0.017 0.000 0.808 159 A HN 0.551 nan 8.150 nan 0.000 0.449 160 E N 0.154 120.330 120.200 -0.041 0.000 2.106 160 E HA -0.133 4.250 4.350 0.055 0.000 0.192 160 E C 1.908 178.465 176.600 -0.072 0.000 0.984 160 E CA 0.920 57.297 56.400 -0.038 0.000 0.806 160 E CB -0.332 29.354 29.700 -0.024 0.000 0.750 160 E HN 0.725 nan 8.360 nan 0.000 0.458 161 I N 1.074 121.561 120.570 -0.139 0.000 2.179 161 I HA -0.291 3.912 4.170 0.055 0.000 0.242 161 I C 2.344 178.352 176.117 -0.182 0.000 1.088 161 I CA 1.227 62.373 61.300 -0.258 0.000 1.357 161 I CB -0.140 37.563 38.000 -0.495 0.000 1.051 161 I HN 0.031 nan 8.210 nan 0.000 0.409 162 K N 0.103 120.433 120.400 -0.118 0.000 2.063 162 K HA -0.219 4.134 4.320 0.055 0.000 0.208 162 K C 2.211 178.799 176.600 -0.020 0.000 1.048 162 K CA 1.177 57.433 56.287 -0.052 0.000 0.928 162 K CB -0.156 32.326 32.500 -0.030 0.000 0.713 162 K HN 0.308 nan 8.250 nan 0.000 0.442 163 Q N 0.108 119.899 119.800 -0.015 0.000 2.079 163 Q HA -0.055 4.318 4.340 0.055 0.000 0.200 163 Q C 2.246 178.275 176.000 0.048 0.000 0.974 163 Q CA 1.382 57.191 55.803 0.010 0.000 0.840 163 Q CB -0.182 28.564 28.738 0.013 0.000 0.898 163 Q HN 0.326 nan 8.270 nan 0.000 0.430 164 A N 1.349 124.201 122.820 0.053 0.000 1.908 164 A HA -0.232 4.121 4.320 0.055 0.000 0.218 164 A C 1.947 179.614 177.584 0.138 0.000 1.181 164 A CA 1.682 53.796 52.037 0.128 0.000 0.627 164 A CB -0.455 18.541 19.000 -0.006 0.000 0.818 164 A HN 0.419 nan 8.150 nan 0.000 0.445 165 E N -0.080 120.152 120.200 0.054 0.000 2.051 165 E HA -0.201 4.182 4.350 0.055 0.000 0.192 165 E C 2.060 178.703 176.600 0.072 0.000 0.991 165 E CA 1.395 57.832 56.400 0.063 0.000 0.799 165 E CB -0.209 29.525 29.700 0.056 0.000 0.748 165 E HN 0.596 nan 8.360 nan 0.000 0.449 166 K N 0.776 121.207 120.400 0.053 0.000 2.097 166 K HA -0.180 4.173 4.320 0.055 0.000 0.206 166 K C 2.228 178.853 176.600 0.042 0.000 1.049 166 K CA 1.227 57.537 56.287 0.038 0.000 0.933 166 K CB -0.104 32.402 32.500 0.010 0.000 0.717 166 K HN 0.151 nan 8.250 nan 0.000 0.442 167 Q N 0.379 120.201 119.800 0.037 0.000 2.245 167 Q HA -0.078 4.295 4.340 0.055 0.000 0.201 167 Q C 2.025 177.990 176.000 -0.059 0.000 0.955 167 Q CA 0.483 56.240 55.803 -0.076 0.000 0.870 167 Q CB 0.035 28.650 28.738 -0.204 0.000 0.945 167 Q HN 0.141 nan 8.270 nan 0.000 0.461 168 L N 0.619 121.960 121.223 0.198 0.000 2.027 168 L HA -0.157 4.216 4.340 0.055 0.000 0.206 168 L C 2.301 179.275 176.870 0.173 0.000 1.074 168 L CA 2.276 57.285 54.840 0.281 0.000 0.745 168 L CB -0.855 41.302 42.059 0.163 0.000 0.898 168 L HN 0.195 nan 8.230 nan 0.000 0.433 169 S N -1.912 113.852 115.700 0.106 0.000 2.382 169 S HA -0.296 4.207 4.470 0.055 0.000 0.228 169 S C 2.128 176.780 174.600 0.087 0.000 1.027 169 S CA 1.248 59.492 58.200 0.074 0.000 0.991 169 S CB -1.005 62.227 63.200 0.054 0.000 0.823 169 S HN 0.696 nan 8.310 nan 0.000 0.469 170 H N 0.434 119.507 119.070 0.006 0.000 2.319 170 H HA -0.122 4.468 4.556 0.057 0.000 0.299 170 H C 1.972 177.313 175.328 0.020 0.000 1.092 170 H CA 2.134 58.173 56.048 -0.014 0.000 1.302 170 H CB -0.804 28.923 29.762 -0.058 0.000 1.373 170 H HN 0.503 nan 8.280 nan 0.000 0.497 171 Y N 0.905 121.136 120.300 -0.116 0.000 2.114 171 Y HA -0.230 4.353 4.550 0.054 0.000 0.282 171 Y C 2.189 178.040 175.900 -0.082 0.000 1.165 171 Y CA 1.833 59.864 58.100 -0.115 0.000 1.148 171 Y CB -0.840 37.615 38.460 -0.007 0.000 0.972 171 Y HN 0.274 nan 8.280 nan 0.000 0.504 172 L N -1.078 120.104 121.223 -0.067 0.000 2.131 172 L HA -0.234 4.139 4.340 0.055 0.000 0.210 172 L C 2.180 178.955 176.870 -0.158 0.000 1.092 172 L CA 0.642 55.407 54.840 -0.125 0.000 0.759 172 L CB -0.581 41.486 42.059 0.014 0.000 0.903 172 L HN 0.210 nan 8.230 nan 0.000 0.435 173 L N -0.898 120.228 121.223 -0.162 0.000 2.270 173 L HA -0.041 4.331 4.340 0.055 0.000 0.210 173 L C 2.326 178.909 176.870 -0.478 0.000 1.104 173 L CA 2.014 56.748 54.840 -0.176 0.000 0.804 173 L CB -0.922 41.099 42.059 -0.063 0.000 0.937 173 L HN 0.451 nan 8.230 nan 0.000 0.450 174 T N -6.828 107.420 114.554 -0.510 0.000 2.966 174 T HA 0.365 4.748 4.350 0.055 0.000 0.254 174 T C 1.402 175.889 174.700 -0.355 0.000 0.961 174 T CA 0.552 62.366 62.100 -0.476 0.000 0.915 174 T CB 0.743 69.296 68.868 -0.524 0.000 1.186 174 T HN 0.230 nan 8.240 nan 0.000 0.505 175 G N 1.986 110.640 108.800 -0.244 0.000 2.176 175 G HA2 -0.235 3.758 3.960 0.055 0.000 0.253 175 G HA3 -0.235 3.758 3.960 0.055 0.000 0.253 175 G C -0.080 174.916 174.900 0.160 0.000 0.979 175 G CA 0.073 45.177 45.100 0.007 0.000 0.641 175 G HN 0.652 nan 8.290 nan 0.000 0.530 176 K N 0.619 121.032 120.400 0.022 0.000 2.310 176 K HA 0.462 4.815 4.320 0.055 0.000 0.290 176 K C 0.378 176.945 176.600 -0.055 0.000 1.077 176 K CA -0.271 56.018 56.287 0.004 0.000 0.922 176 K CB 0.736 33.242 32.500 0.010 0.000 1.057 176 K HN 0.318 nan 8.250 nan 0.000 0.479 177 I N 4.077 124.547 120.570 -0.166 0.000 2.301 177 I HA 0.116 4.319 4.170 0.055 0.000 0.292 177 I C -0.046 175.916 176.117 -0.259 0.000 1.046 177 I CA -0.356 60.716 61.300 -0.381 0.000 1.282 177 I CB 0.454 38.243 38.000 -0.351 0.000 1.409 177 I HN 0.318 nan 8.210 nan 0.000 0.484 178 K N 7.541 127.698 120.400 -0.407 0.000 2.731 178 K HA 0.427 4.780 4.320 0.055 0.000 0.257 178 K C -1.882 174.488 176.600 -0.383 0.000 1.032 178 K CA -0.326 55.814 56.287 -0.244 0.000 0.983 178 K CB 0.484 32.900 32.500 -0.141 0.000 1.248 178 K HN 0.242 nan 8.250 nan 0.000 0.484 179 F N 2.712 122.631 119.950 -0.053 0.000 2.444 179 F HA 0.264 4.824 4.527 0.054 0.000 0.342 179 F C 1.013 176.792 175.800 -0.035 0.000 1.121 179 F CA -0.666 57.305 58.000 -0.048 0.000 0.997 179 F CB 1.853 40.817 39.000 -0.061 0.000 1.130 179 F HN 0.513 nan 8.300 nan 0.000 0.454 180 D N 0.638 121.122 120.400 0.139 0.000 2.221 180 D HA -0.171 4.502 4.640 0.055 0.000 0.204 180 D C 0.520 176.871 176.300 0.085 0.000 0.982 180 D CA 1.568 55.615 54.000 0.079 0.000 0.857 180 D CB 0.073 40.901 40.800 0.046 0.000 0.934 180 D HN 0.221 nan 8.370 nan 0.000 0.475 181 N N -0.976 117.792 118.700 0.113 0.000 2.675 181 N HA 0.135 4.908 4.740 0.055 0.000 0.254 181 N C -2.332 173.185 175.510 0.012 0.000 1.224 181 N CA -1.529 51.553 53.050 0.053 0.000 0.777 181 N CB 1.672 40.176 38.487 0.029 0.000 1.256 181 N HN -0.251 nan 8.380 nan 0.000 0.531 182 P HA -0.068 nan 4.420 nan 0.000 0.218 182 P C 1.110 178.337 177.300 -0.122 0.000 1.148 182 P CA 1.352 64.403 63.100 -0.082 0.000 0.822 182 P CB 0.480 32.184 31.700 0.007 0.000 0.784 183 T N -0.339 114.196 114.554 -0.030 0.000 2.674 183 T HA -0.094 4.289 4.350 0.055 0.000 0.265 183 T C 1.692 176.455 174.700 0.105 0.000 1.039 183 T CA 1.000 63.120 62.100 0.034 0.000 1.150 183 T CB -0.671 68.228 68.868 0.051 0.000 0.864 183 T HN -0.013 nan 8.240 nan 0.000 0.427 184 I N 1.661 122.265 120.570 0.056 0.000 2.394 184 I HA -0.048 4.155 4.170 0.055 0.000 0.251 184 I C 2.852 178.971 176.117 0.004 0.000 1.136 184 I CA 0.744 62.097 61.300 0.089 0.000 1.425 184 I CB -1.478 36.523 38.000 0.002 0.000 1.079 184 I HN 0.176 nan 8.210 nan 0.000 0.425 185 A N 0.982 123.668 122.820 -0.223 0.000 2.070 185 A HA -0.189 4.164 4.320 0.055 0.000 0.220 185 A C 2.313 179.593 177.584 -0.506 0.000 1.159 185 A CA 1.063 52.775 52.037 -0.542 0.000 0.656 185 A CB -0.599 17.609 19.000 -1.320 0.000 0.800 185 A HN 0.368 nan 8.150 nan 0.000 0.453 186 R N -2.067 118.260 120.500 -0.289 0.000 2.285 186 R HA -0.092 4.281 4.340 0.055 0.000 0.213 186 R C 0.227 176.360 176.300 -0.278 0.000 1.068 186 R CA 1.148 57.091 56.100 -0.262 0.000 1.004 186 R CB -0.230 29.812 30.300 -0.430 0.000 0.873 186 R HN 0.713 nan 8.270 nan 0.000 0.467 187 Y N -1.739 118.604 120.300 0.072 0.000 2.660 187 Y HA 0.198 4.782 4.550 0.056 0.000 0.254 187 Y C 0.904 176.947 175.900 0.239 0.000 1.176 187 Y CA -0.306 57.875 58.100 0.136 0.000 1.195 187 Y CB 1.166 39.617 38.460 -0.015 0.000 1.190 187 Y HN -0.224 nan 8.280 nan 0.000 0.535 188 V N -1.785 118.219 119.914 0.149 0.000 3.319 188 V HA -0.009 4.144 4.120 0.055 0.000 0.317 188 V C 0.982 177.159 176.094 0.139 0.000 1.411 188 V CA -0.201 62.209 62.300 0.183 0.000 1.112 188 V CB -0.530 31.276 31.823 -0.028 0.000 1.031 188 V HN 0.525 nan 8.190 nan 0.000 0.448 189 W N 0.987 122.482 121.300 0.325 0.000 2.364 189 W HA -0.225 4.467 4.660 0.054 0.000 0.281 189 W C 2.550 179.175 176.519 0.177 0.000 1.219 189 W CA 1.491 58.982 57.345 0.244 0.000 1.220 189 W CB -0.109 29.472 29.460 0.202 0.000 1.127 189 W HN 0.422 nan 8.180 nan 0.000 0.556 190 Q N 0.761 120.791 119.800 0.384 0.000 2.364 190 Q HA -0.181 4.192 4.340 0.055 0.000 0.207 190 Q C 1.826 177.894 176.000 0.113 0.000 0.970 190 Q CA 1.805 57.730 55.803 0.204 0.000 0.888 190 Q CB -0.775 28.032 28.738 0.117 0.000 0.951 190 Q HN 0.284 nan 8.270 nan 0.000 0.469 191 S N -0.515 115.268 115.700 0.138 0.000 2.507 191 S HA 0.101 4.603 4.470 0.055 0.000 0.235 191 S C 1.617 176.194 174.600 -0.039 0.000 0.988 191 S CA 0.624 58.868 58.200 0.073 0.000 0.944 191 S CB 0.233 63.493 63.200 0.100 0.000 0.762 191 S HN 0.536 nan 8.310 nan 0.000 0.526 192 A N -0.308 122.436 122.820 -0.128 0.000 2.048 192 A HA 0.686 5.038 4.320 0.055 0.000 0.197 192 A C 0.239 177.434 177.584 -0.648 0.000 1.486 192 A CA -0.195 51.552 52.037 -0.483 0.000 1.029 192 A CB 0.506 19.020 19.000 -0.810 0.000 1.101 192 A HN 0.434 nan 8.150 nan 0.000 0.470 193 F N -1.182 118.847 119.950 0.131 0.000 2.643 193 F HA 0.552 5.112 4.527 0.054 0.000 0.314 193 F C -2.856 172.961 175.800 0.029 0.000 1.096 193 F CA -2.572 55.466 58.000 0.064 0.000 0.953 193 F CB 1.232 40.257 39.000 0.042 0.000 1.345 193 F HN -0.255 nan 8.300 nan 0.000 0.468 194 P HA 0.297 nan 4.420 nan 0.000 0.276 194 P C -1.358 175.949 177.300 0.011 0.000 1.230 194 P CA -0.106 63.031 63.100 0.061 0.000 0.776 194 P CB 1.337 33.049 31.700 0.020 0.000 0.888 195 V N 3.283 123.171 119.914 -0.042 0.000 3.012 195 V HA 0.541 4.694 4.120 0.055 0.000 0.307 195 V C -1.443 174.521 176.094 -0.216 0.000 1.166 195 V CA -0.747 61.454 62.300 -0.164 0.000 0.974 195 V CB 2.262 34.016 31.823 -0.115 0.000 1.040 195 V HN 0.396 nan 8.190 nan 0.000 0.428 196 K N 4.732 124.915 120.400 -0.362 0.000 2.541 196 K HA 0.537 4.890 4.320 0.055 0.000 0.250 196 K C -2.078 174.172 176.600 -0.583 0.000 0.950 196 K CA -0.527 55.530 56.287 -0.384 0.000 0.805 196 K CB 1.552 33.859 32.500 -0.322 0.000 1.166 196 K HN 0.702 nan 8.250 nan 0.000 0.430 197 Y N 1.741 121.740 120.300 -0.502 0.000 2.334 197 Y HA 0.271 4.854 4.550 0.055 0.000 0.328 197 Y C -0.246 175.109 175.900 -0.907 0.000 1.130 197 Y CA -0.285 57.458 58.100 -0.594 0.000 1.163 197 Y CB 1.279 39.360 38.460 -0.632 0.000 1.207 197 Y HN 0.536 nan 8.280 nan 0.000 0.471 198 H N 2.738 121.607 119.070 -0.335 0.000 2.762 198 H HA 0.366 4.955 4.556 0.054 0.000 0.310 198 H C -1.361 174.016 175.328 0.082 0.000 1.004 198 H CA -0.661 55.279 56.048 -0.180 0.000 1.267 198 H CB 0.364 30.054 29.762 -0.119 0.000 1.437 198 H HN 0.363 nan 8.280 nan 0.000 0.498 199 F N 2.200 122.317 119.950 0.278 0.000 2.422 199 F HA 0.158 4.718 4.527 0.054 0.000 0.333 199 F C 0.966 177.001 175.800 0.392 0.000 1.095 199 F CA -1.196 57.026 58.000 0.371 0.000 1.038 199 F CB 0.989 40.186 39.000 0.328 0.000 1.156 199 F HN 0.429 nan 8.300 nan 0.000 0.483 200 L N 1.023 122.664 121.223 0.697 0.000 2.141 200 L HA -0.060 4.313 4.340 0.055 0.000 0.209 200 L C 1.030 178.083 176.870 0.306 0.000 1.094 200 L CA 1.457 56.576 54.840 0.466 0.000 0.763 200 L CB -0.409 41.903 42.059 0.423 0.000 0.908 200 L HN 0.538 nan 8.230 nan 0.000 0.437 201 S N -2.073 113.845 115.700 0.363 0.000 2.652 201 S HA 0.221 4.724 4.470 0.055 0.000 0.252 201 S C 1.015 175.917 174.600 0.502 0.000 1.219 201 S CA -0.069 58.279 58.200 0.247 0.000 1.151 201 S CB 0.540 63.671 63.200 -0.115 0.000 1.080 201 S HN 0.382 nan 8.310 nan 0.000 0.481 202 T N 1.107 115.943 114.554 0.469 0.000 2.951 202 T HA -0.047 4.336 4.350 0.055 0.000 0.268 202 T C 1.126 176.054 174.700 0.381 0.000 1.073 202 T CA 0.980 63.381 62.100 0.503 0.000 1.134 202 T CB -0.319 68.863 68.868 0.525 0.000 0.884 202 T HN 0.487 nan 8.240 nan 0.000 0.479 203 D N 0.641 121.209 120.400 0.281 0.000 2.123 203 D HA -0.102 4.570 4.640 0.055 0.000 0.196 203 D C 1.606 178.004 176.300 0.164 0.000 0.992 203 D CA 1.121 55.233 54.000 0.187 0.000 0.833 203 D CB -0.561 40.321 40.800 0.136 0.000 0.954 203 D HN 0.495 nan 8.370 nan 0.000 0.455 204 Y N 0.460 120.811 120.300 0.086 0.000 2.114 204 Y HA -0.292 4.291 4.550 0.055 0.000 0.282 204 Y C 2.126 177.935 175.900 -0.151 0.000 1.165 204 Y CA 1.659 59.753 58.100 -0.009 0.000 1.148 204 Y CB -0.618 37.866 38.460 0.040 0.000 0.972 204 Y HN -0.105 nan 8.280 nan 0.000 0.504 205 F N 0.315 120.219 119.950 -0.077 0.000 2.234 205 F HA -0.126 4.434 4.527 0.055 0.000 0.299 205 F C 2.262 177.918 175.800 -0.240 0.000 1.087 205 F CA 1.770 59.588 58.000 -0.302 0.000 1.340 205 F CB -0.346 38.399 39.000 -0.426 0.000 1.031 205 F HN 0.088 nan 8.300 nan 0.000 0.500 206 E N -0.254 119.989 120.200 0.072 0.000 2.299 206 E HA -0.087 4.296 4.350 0.055 0.000 0.193 206 E C 1.711 178.300 176.600 -0.018 0.000 0.998 206 E CA 0.706 57.144 56.400 0.063 0.000 0.851 206 E CB 0.047 29.831 29.700 0.141 0.000 0.795 206 E HN 0.397 nan 8.360 nan 0.000 0.492 207 K N 0.020 120.373 120.400 -0.078 0.000 2.365 207 K HA 0.251 4.604 4.320 0.055 0.000 0.195 207 K C 0.457 176.951 176.600 -0.176 0.000 1.079 207 K CA 0.068 56.301 56.287 -0.090 0.000 0.979 207 K CB 0.882 33.359 32.500 -0.038 0.000 0.929 207 K HN -0.093 nan 8.250 nan 0.000 0.523 208 A N 2.256 124.853 122.820 -0.372 0.000 2.444 208 A HA -0.002 4.351 4.320 0.055 0.000 0.273 208 A C 0.868 178.238 177.584 -0.356 0.000 1.136 208 A CA -0.004 51.770 52.037 -0.439 0.000 0.799 208 A CB 0.269 18.690 19.000 -0.966 0.000 1.081 208 A HN 0.287 nan 8.150 nan 0.000 0.509 209 E N 2.157 122.285 120.200 -0.120 0.000 2.072 209 E HA -0.180 4.203 4.350 0.055 0.000 0.191 209 E C 1.264 177.827 176.600 -0.062 0.000 0.985 209 E CA 1.729 58.088 56.400 -0.068 0.000 0.801 209 E CB -0.184 29.521 29.700 0.010 0.000 0.750 209 E HN 0.959 nan 8.360 nan 0.000 0.452 210 F N -0.446 119.432 119.950 -0.121 0.000 2.408 210 F HA -0.053 4.507 4.527 0.054 0.000 0.300 210 F C 1.514 177.243 175.800 -0.119 0.000 1.090 210 F CA 0.363 58.300 58.000 -0.104 0.000 1.427 210 F CB -0.275 38.666 39.000 -0.100 0.000 1.070 210 F HN 0.001 nan 8.300 nan 0.000 0.549 211 L N 0.305 120.991 121.223 -0.896 0.000 2.592 211 L HA 0.136 4.509 4.340 0.055 0.000 0.227 211 L C 2.004 178.660 176.870 -0.357 0.000 1.127 211 L CA 0.716 55.081 54.840 -0.791 0.000 0.884 211 L CB -1.117 40.279 42.059 -1.104 0.000 1.065 211 L HN 0.086 nan 8.230 nan 0.000 0.457 212 Q N 0.119 119.778 119.800 -0.235 0.000 2.152 212 Q HA -0.175 4.198 4.340 0.055 0.000 0.206 212 Q C -0.488 175.483 176.000 -0.048 0.000 0.985 212 Q CA 2.058 57.797 55.803 -0.106 0.000 0.863 212 Q CB -1.476 27.221 28.738 -0.067 0.000 0.904 212 Q HN 0.278 nan 8.270 nan 0.000 0.422 213 P HA -0.155 nan 4.420 nan 0.000 0.216 213 P C 1.177 178.493 177.300 0.027 0.000 1.150 213 P CA 0.825 63.919 63.100 -0.011 0.000 0.837 213 P CB 0.036 31.713 31.700 -0.039 0.000 0.786 214 L N 0.008 121.214 121.223 -0.028 0.000 2.023 214 L HA -0.084 4.289 4.340 0.055 0.000 0.205 214 L C 2.272 179.212 176.870 0.117 0.000 1.073 214 L CA 1.915 56.772 54.840 0.028 0.000 0.745 214 L CB -1.163 40.841 42.059 -0.091 0.000 0.900 214 L HN -0.228 nan 8.230 nan 0.000 0.435 215 K N -0.038 120.397 120.400 0.059 0.000 2.015 215 K HA -0.281 4.072 4.320 0.055 0.000 0.216 215 K C 1.865 178.578 176.600 0.189 0.000 1.052 215 K CA 2.476 58.836 56.287 0.121 0.000 0.937 215 K CB -0.305 32.246 32.500 0.086 0.000 0.719 215 K HN 0.518 nan 8.250 nan 0.000 0.446 216 E N -0.930 119.351 120.200 0.135 0.000 2.265 216 E HA -0.216 4.167 4.350 0.055 0.000 0.196 216 E C 1.865 178.554 176.600 0.149 0.000 0.996 216 E CA 1.096 57.569 56.400 0.123 0.000 0.832 216 E CB -0.188 29.564 29.700 0.086 0.000 0.756 216 E HN 0.448 nan 8.360 nan 0.000 0.491 217 Y N 1.114 121.446 120.300 0.052 0.000 2.243 217 Y HA -0.069 4.513 4.550 0.054 0.000 0.293 217 Y C 1.828 177.778 175.900 0.085 0.000 1.124 217 Y CA 1.077 59.209 58.100 0.054 0.000 1.159 217 Y CB -0.042 38.440 38.460 0.036 0.000 1.008 217 Y HN -0.091 nan 8.280 nan 0.000 0.527 218 L N 0.149 121.445 121.223 0.122 0.000 2.362 218 L HA -0.068 4.305 4.340 0.055 0.000 0.219 218 L C 2.245 179.155 176.870 0.067 0.000 1.134 218 L CA 0.547 55.438 54.840 0.086 0.000 0.807 218 L CB -1.157 41.036 42.059 0.223 0.000 0.927 218 L HN 0.470 nan 8.230 nan 0.000 0.447 219 A N 0.862 123.718 122.820 0.059 0.000 5.197 219 A HA -0.379 3.974 4.320 0.055 0.000 0.365 219 A C 1.623 179.140 177.584 -0.113 0.000 1.556 219 A CA 2.305 54.333 52.037 -0.016 0.000 0.700 219 A CB -1.086 17.879 19.000 -0.057 0.000 1.540 219 A HN 0.447 nan 8.150 nan 0.000 0.422 220 E N 0.983 121.110 120.200 -0.121 0.000 2.465 220 E HA 0.067 4.450 4.350 0.055 0.000 0.191 220 E C 0.770 177.270 176.600 -0.167 0.000 1.053 220 E CA 0.377 56.679 56.400 -0.163 0.000 0.869 220 E CB -0.254 29.378 29.700 -0.114 0.000 0.977 220 E HN 0.614 nan 8.360 nan 0.000 0.483 221 N N 0.420 119.055 118.700 -0.108 0.000 2.353 221 N HA -0.011 4.762 4.740 0.055 0.000 0.185 221 N C 0.228 175.722 175.510 -0.026 0.000 1.098 221 N CA 0.147 53.177 53.050 -0.033 0.000 0.872 221 N CB 0.353 38.898 38.487 0.097 0.000 0.970 221 N HN 0.280 nan 8.380 nan 0.000 0.467 222 Y N 0.766 120.960 120.300 -0.176 0.000 2.549 222 Y HA 0.603 5.186 4.550 0.054 0.000 0.339 222 Y C -0.463 175.250 175.900 -0.313 0.000 1.053 222 Y CA -1.273 56.599 58.100 -0.381 0.000 1.105 222 Y CB 0.942 39.046 38.460 -0.593 0.000 1.258 222 Y HN -0.093 nan 8.280 nan 0.000 0.478 223 Q N 1.290 120.949 119.800 -0.235 0.000 2.462 223 Q HA 0.462 4.835 4.340 0.055 0.000 0.285 223 Q C -1.493 174.528 176.000 0.034 0.000 1.035 223 Q CA -1.398 54.335 55.803 -0.117 0.000 0.799 223 Q CB 2.453 31.081 28.738 -0.184 0.000 1.452 223 Q HN 0.691 nan 8.270 nan 0.000 0.404 227 W N 1.808 123.147 121.300 0.066 0.000 3.008 227 W HA 0.199 4.892 4.660 0.055 0.000 0.355 227 W C 1.772 178.318 176.519 0.044 0.000 1.095 227 W CA 0.295 57.669 57.345 0.050 0.000 1.738 227 W CB 1.026 30.513 29.460 0.045 0.000 1.091 227 W HN 0.569 nan 8.180 nan 0.000 0.574 228 T N -3.373 111.298 114.554 0.196 0.000 3.105 228 T HA 0.358 4.741 4.350 0.055 0.000 0.253 228 T C 1.740 176.491 174.700 0.086 0.000 1.047 228 T CA 0.553 62.740 62.100 0.145 0.000 0.944 228 T CB 0.161 69.099 68.868 0.116 0.000 1.016 228 T HN -0.029 nan 8.240 nan 0.000 0.544 229 A N 0.833 123.680 122.820 0.045 0.000 1.940 229 A HA -0.046 4.307 4.320 0.055 0.000 0.219 229 A C 1.927 179.501 177.584 -0.017 0.000 1.176 229 A CA 1.498 53.527 52.037 -0.013 0.000 0.631 229 A CB -1.193 17.766 19.000 -0.069 0.000 0.814 229 A HN 0.674 nan 8.150 nan 0.000 0.446 230 Y N 0.628 120.857 120.300 -0.118 0.000 2.181 230 Y HA -0.239 4.343 4.550 0.054 0.000 0.288 230 Y C 2.428 178.295 175.900 -0.055 0.000 1.146 230 Y CA 2.202 60.226 58.100 -0.126 0.000 1.164 230 Y CB -0.115 38.291 38.460 -0.090 0.000 0.982 230 Y HN 0.343 nan 8.280 nan 0.000 0.515 231 Q N 0.123 119.952 119.800 0.047 0.000 2.291 231 Q HA -0.199 4.174 4.340 0.055 0.000 0.206 231 Q C 1.596 177.542 176.000 -0.090 0.000 0.976 231 Q CA 1.597 57.388 55.803 -0.019 0.000 0.875 231 Q CB -0.320 28.459 28.738 0.068 0.000 0.927 231 Q HN 0.697 nan 8.270 nan 0.000 0.450 232 Q N 0.309 120.054 119.800 -0.091 0.000 2.319 232 Q HA 0.150 4.523 4.340 0.055 0.000 0.202 232 Q C 0.101 176.031 176.000 -0.117 0.000 0.896 232 Q CA -0.182 55.570 55.803 -0.085 0.000 0.942 232 Q CB 0.229 28.937 28.738 -0.051 0.000 1.083 232 Q HN 0.239 nan 8.270 nan 0.000 0.510 233 L N -1.869 119.247 121.223 -0.179 0.000 2.448 233 L HA 0.524 4.897 4.340 0.055 0.000 0.258 233 L C 0.632 177.401 176.870 -0.167 0.000 1.104 233 L CA -1.133 53.605 54.840 -0.171 0.000 0.800 233 L CB -0.224 41.723 42.059 -0.186 0.000 1.241 233 L HN -0.147 nan 8.230 nan 0.000 0.472 234 T N -3.412 111.062 114.554 -0.134 0.000 2.855 234 T HA 0.248 4.630 4.350 0.055 0.000 0.314 234 T C -1.818 172.813 174.700 -0.116 0.000 1.077 234 T CA -0.889 61.145 62.100 -0.110 0.000 1.095 234 T CB 0.486 69.298 68.868 -0.093 0.000 0.987 234 T HN 0.587 nan 8.240 nan 0.000 0.546 235 P HA -0.020 nan 4.420 nan 0.000 0.220 235 P C 1.422 178.700 177.300 -0.037 0.000 1.148 235 P CA 0.882 63.938 63.100 -0.073 0.000 0.803 235 P CB 0.100 31.771 31.700 -0.048 0.000 0.782 236 E N -0.347 119.833 120.200 -0.032 0.000 2.072 236 E HA -0.189 4.194 4.350 0.055 0.000 0.191 236 E C 2.079 178.699 176.600 0.033 0.000 0.985 236 E CA 0.977 57.377 56.400 0.000 0.000 0.801 236 E CB -0.262 29.422 29.700 -0.027 0.000 0.750 236 E HN 0.405 nan 8.360 nan 0.000 0.452 237 Q N 0.310 120.090 119.800 -0.033 0.000 2.172 237 Q HA -0.145 4.227 4.340 0.055 0.000 0.200 237 Q C 2.120 178.182 176.000 0.102 0.000 0.964 237 Q CA 0.877 56.669 55.803 -0.018 0.000 0.855 237 Q CB 0.096 28.759 28.738 -0.124 0.000 0.918 237 Q HN 0.309 nan 8.270 nan 0.000 0.444 238 Q N -0.021 119.772 119.800 -0.010 0.000 2.046 238 Q HA -0.141 4.232 4.340 0.055 0.000 0.200 238 Q C 2.160 178.305 176.000 0.241 0.000 0.975 238 Q CA 1.268 57.070 55.803 -0.002 0.000 0.836 238 Q CB -0.183 28.387 28.738 -0.280 0.000 0.896 238 Q HN 0.367 nan 8.270 nan 0.000 0.428 239 A N 0.750 123.666 122.820 0.158 0.000 1.883 239 A HA -0.227 4.126 4.320 0.055 0.000 0.217 239 A C 1.891 179.588 177.584 0.188 0.000 1.186 239 A CA 1.351 53.477 52.037 0.149 0.000 0.624 239 A CB -0.935 18.127 19.000 0.102 0.000 0.822 239 A HN 0.451 nan 8.150 nan 0.000 0.444 240 F N -1.013 118.973 119.950 0.060 0.000 2.065 240 F HA -0.254 4.306 4.527 0.054 0.000 0.298 240 F C 2.180 178.028 175.800 0.080 0.000 1.112 240 F CA 2.273 60.302 58.000 0.047 0.000 1.212 240 F CB -0.545 38.461 39.000 0.009 0.000 0.975 240 F HN 0.372 nan 8.300 nan 0.000 0.476 241 Y N 0.685 121.110 120.300 0.208 0.000 2.145 241 Y HA -0.220 4.363 4.550 0.054 0.000 0.286 241 Y C 2.168 178.120 175.900 0.086 0.000 1.145 241 Y CA 1.959 60.140 58.100 0.134 0.000 1.148 241 Y CB -0.692 37.926 38.460 0.263 0.000 0.981 241 Y HN 0.082 nan 8.280 nan 0.000 0.507 242 L N -0.981 120.352 121.223 0.183 0.000 2.127 242 L HA -0.282 4.091 4.340 0.055 0.000 0.211 242 L C 2.250 179.114 176.870 -0.010 0.000 1.089 242 L CA 1.840 56.735 54.840 0.093 0.000 0.757 242 L CB -0.863 41.253 42.059 0.096 0.000 0.899 242 L HN 0.240 nan 8.230 nan 0.000 0.434 243 T N -0.024 114.487 114.554 -0.072 0.000 2.770 243 T HA -0.101 4.282 4.350 0.055 0.000 0.263 243 T C 1.969 176.549 174.700 -0.200 0.000 1.039 243 T CA 0.963 62.987 62.100 -0.126 0.000 1.142 243 T CB -0.185 68.585 68.868 -0.164 0.000 0.868 243 T HN 0.194 nan 8.240 nan 0.000 0.435 244 L N 0.672 121.698 121.223 -0.328 0.000 2.127 244 L HA -0.039 4.333 4.340 0.055 0.000 0.211 244 L C 2.427 179.166 176.870 -0.219 0.000 1.089 244 L CA 0.904 55.547 54.840 -0.328 0.000 0.757 244 L CB -0.375 41.437 42.059 -0.411 0.000 0.899 244 L HN 0.153 nan 8.230 nan 0.000 0.434 245 V N -0.445 119.310 119.914 -0.264 0.000 3.647 245 V HA 0.230 4.382 4.120 0.055 0.000 0.279 245 V C 1.273 177.357 176.094 -0.016 0.000 1.314 245 V CA 0.837 63.072 62.300 -0.109 0.000 1.125 245 V CB -0.096 31.545 31.823 -0.303 0.000 0.907 245 V HN 0.659 nan 8.190 nan 0.000 0.434 246 G N 0.679 109.464 108.800 -0.026 0.000 2.198 246 G HA2 -0.313 3.680 3.960 0.055 0.000 0.257 246 G HA3 -0.313 3.680 3.960 0.055 0.000 0.257 246 G C 0.084 175.016 174.900 0.054 0.000 1.042 246 G CA 0.340 45.435 45.100 -0.009 0.000 0.791 246 G HN 0.563 nan 8.290 nan 0.000 0.502 247 F N 2.153 122.061 119.950 -0.069 0.000 2.406 247 F HA 0.306 4.866 4.527 0.055 0.000 0.358 247 F C 1.064 176.848 175.800 -0.026 0.000 1.161 247 F CA -0.944 57.027 58.000 -0.048 0.000 1.185 247 F CB 0.012 38.982 39.000 -0.050 0.000 1.421 247 F HN 0.445 nan 8.300 nan 0.000 0.576 248 N N 1.671 120.557 118.700 0.310 0.000 2.479 248 N HA -0.086 4.687 4.740 0.055 0.000 0.257 248 N C 0.569 176.149 175.510 0.117 0.000 1.232 248 N CA -0.294 52.850 53.050 0.157 0.000 0.920 248 N CB 0.791 39.338 38.487 0.100 0.000 1.105 248 N HN 0.525 nan 8.380 nan 0.000 0.444 249 D N 0.253 120.672 120.400 0.032 0.000 2.178 249 D HA -0.233 4.439 4.640 0.055 0.000 0.201 249 D C 1.545 177.855 176.300 0.016 0.000 0.980 249 D CA 1.133 55.124 54.000 -0.016 0.000 0.842 249 D CB 0.026 40.818 40.800 -0.012 0.000 0.948 249 D HN 0.796 nan 8.370 nan 0.000 0.472 250 E N -0.447 119.784 120.200 0.051 0.000 2.049 250 E HA -0.180 4.203 4.350 0.055 0.000 0.198 250 E C 1.929 178.589 176.600 0.100 0.000 1.007 250 E CA 1.583 58.022 56.400 0.065 0.000 0.809 250 E CB -0.217 29.521 29.700 0.064 0.000 0.749 250 E HN 0.193 nan 8.360 nan 0.000 0.450 251 V N 0.954 120.960 119.914 0.153 0.000 2.453 251 V HA -0.145 4.008 4.120 0.055 0.000 0.247 251 V C 2.462 178.706 176.094 0.250 0.000 1.048 251 V CA 1.685 64.121 62.300 0.226 0.000 1.049 251 V CB -0.557 31.426 31.823 0.266 0.000 0.672 251 V HN 0.233 nan 8.190 nan 0.000 0.457 252 K N -0.007 120.480 120.400 0.145 0.000 2.026 252 K HA -0.186 4.167 4.320 0.055 0.000 0.208 252 K C 2.313 178.898 176.600 -0.025 0.000 1.048 252 K CA 1.473 57.691 56.287 -0.115 0.000 0.929 252 K CB -0.153 32.032 32.500 -0.525 0.000 0.713 252 K HN 0.412 nan 8.250 nan 0.000 0.439 253 Q N 0.338 120.139 119.800 0.002 0.000 2.061 253 Q HA -0.134 4.239 4.340 0.055 0.000 0.204 253 Q C 2.167 178.213 176.000 0.077 0.000 0.984 253 Q CA 1.901 57.721 55.803 0.028 0.000 0.846 253 Q CB -0.482 28.272 28.738 0.027 0.000 0.902 253 Q HN 0.457 nan 8.270 nan 0.000 0.421 254 S N 0.421 116.193 115.700 0.121 0.000 2.383 254 S HA -0.121 4.382 4.470 0.055 0.000 0.229 254 S C 1.770 176.535 174.600 0.274 0.000 1.030 254 S CA 0.855 59.168 58.200 0.189 0.000 1.002 254 S CB -0.210 63.123 63.200 0.220 0.000 0.829 254 S HN 0.189 nan 8.310 nan 0.000 0.467 255 L N 1.521 122.868 121.223 0.207 0.000 2.610 255 L HA 0.305 4.678 4.340 0.055 0.000 0.232 255 L C 2.018 178.934 176.870 0.077 0.000 1.149 255 L CA 1.087 55.989 54.840 0.104 0.000 0.872 255 L CB -0.919 41.170 42.059 0.050 0.000 0.992 255 L HN 0.426 nan 8.230 nan 0.000 0.447 256 E N -1.168 119.082 120.200 0.083 0.000 2.481 256 E HA 0.080 4.463 4.350 0.055 0.000 0.198 256 E C 0.484 177.122 176.600 0.064 0.000 1.027 256 E CA -0.172 56.261 56.400 0.055 0.000 0.900 256 E CB 0.629 30.347 29.700 0.030 0.000 0.993 256 E HN 0.263 nan 8.360 nan 0.000 0.482 257 V N 0.378 120.348 119.914 0.093 0.000 2.788 257 V HA -0.031 4.122 4.120 0.055 0.000 0.307 257 V C 0.409 176.542 176.094 0.065 0.000 1.069 257 V CA -0.280 62.068 62.300 0.079 0.000 1.173 257 V CB 0.890 32.768 31.823 0.091 0.000 0.925 257 V HN 0.073 nan 8.190 nan 0.000 0.492 258 Q N 4.454 124.281 119.800 0.045 0.000 3.026 258 Q HA 0.282 4.654 4.340 0.055 0.000 0.258 258 Q C -0.218 175.799 176.000 0.027 0.000 1.388 258 Q CA 0.546 56.368 55.803 0.032 0.000 1.000 258 Q CB 0.086 28.838 28.738 0.024 0.000 1.634 258 Q HN 0.967 nan 8.270 nan 0.000 0.571 259 Q N -0.480 119.337 119.800 0.029 0.000 2.435 259 Q HA 0.550 4.923 4.340 0.055 0.000 0.282 259 Q C -1.443 174.537 176.000 -0.033 0.000 1.020 259 Q CA -0.560 55.249 55.803 0.010 0.000 0.820 259 Q CB 1.744 30.500 28.738 0.031 0.000 1.436 259 Q HN 0.468 nan 8.270 nan 0.000 0.395 260 A N 2.877 125.603 122.820 -0.157 0.000 2.584 260 A HA 0.170 4.522 4.320 0.055 0.000 0.239 260 A C -0.742 176.712 177.584 -0.217 0.000 1.043 260 A CA 0.684 52.456 52.037 -0.441 0.000 0.756 260 A CB 0.069 18.314 19.000 -1.258 0.000 0.963 260 A HN 0.576 nan 8.150 nan 0.000 0.511 261 K N 0.687 121.121 120.400 0.056 0.000 2.316 261 K HA 0.637 4.990 4.320 0.055 0.000 0.251 261 K C -1.337 175.605 176.600 0.569 0.000 0.934 261 K CA -0.328 56.177 56.287 0.362 0.000 0.802 261 K CB 2.304 34.950 32.500 0.242 0.000 1.171 261 K HN 0.617 nan 8.250 nan 0.000 0.426 262 F N 3.109 123.320 119.950 0.434 0.000 2.569 262 F HA 0.530 5.090 4.527 0.055 0.000 0.312 262 F C -1.456 174.496 175.800 0.254 0.000 1.109 262 F CA -0.847 57.306 58.000 0.254 0.000 0.919 262 F CB 1.058 40.131 39.000 0.121 0.000 1.211 262 F HN 0.356 nan 8.300 nan 0.000 0.446 263 I N 6.584 126.772 120.570 -0.636 0.000 2.362 263 I HA 0.262 4.465 4.170 0.055 0.000 0.289 263 I C -1.165 174.387 176.117 -0.942 0.000 0.994 263 I CA -0.789 60.204 61.300 -0.512 0.000 1.158 263 I CB 1.491 39.337 38.000 -0.257 0.000 1.315 263 I HN 0.539 nan 8.210 nan 0.000 0.451 264 F N 6.029 125.619 119.950 -0.600 0.000 2.411 264 F HA 0.339 4.899 4.527 0.055 0.000 0.350 264 F C 0.627 176.351 175.800 -0.127 0.000 1.114 264 F CA -0.492 57.310 58.000 -0.331 0.000 1.135 264 F CB 1.203 40.280 39.000 0.129 0.000 1.120 264 F HN 0.440 nan 8.300 nan 0.000 0.495 265 T N 3.205 117.418 114.554 -0.569 0.000 2.744 265 T HA 0.669 5.052 4.350 0.055 0.000 0.291 265 T C 0.380 174.813 174.700 -0.445 0.000 0.957 265 T CA -0.553 61.311 62.100 -0.393 0.000 1.002 265 T CB 0.866 69.633 68.868 -0.170 0.000 0.919 265 T HN 0.807 nan 8.240 nan 0.000 0.468 266 G N 1.274 109.917 108.800 -0.262 0.000 2.547 266 G HA2 0.597 4.590 3.960 0.055 0.000 0.291 266 G HA3 0.597 4.590 3.960 0.055 0.000 0.291 266 G C -0.416 174.529 174.900 0.076 0.000 1.211 266 G CA -0.518 44.618 45.100 0.061 0.000 0.950 266 G HN 0.940 nan 8.290 nan 0.000 0.504 267 T N -2.948 111.750 114.554 0.239 0.000 2.618 267 T HA 0.629 5.012 4.350 0.055 0.000 0.293 267 T C 1.126 175.946 174.700 0.199 0.000 1.093 267 T CA 0.515 62.760 62.100 0.241 0.000 1.061 267 T CB 0.975 69.961 68.868 0.196 0.000 1.498 267 T HN 0.820 nan 8.240 nan 0.000 0.494 268 T N -0.460 114.126 114.554 0.053 0.000 2.589 268 T HA 0.503 4.886 4.350 0.055 0.000 0.178 268 T C 0.869 175.523 174.700 -0.076 0.000 0.708 268 T CA 0.685 62.735 62.100 -0.084 0.000 1.734 268 T CB -0.705 67.972 68.868 -0.319 0.000 2.792 268 T HN 0.903 nan 8.240 nan 0.000 0.406 269 T N -1.209 113.177 114.554 -0.280 0.000 2.841 269 T HA 0.734 5.117 4.350 0.055 0.000 0.276 269 T C -1.175 173.271 174.700 -0.425 0.000 1.003 269 T CA -0.883 60.725 62.100 -0.820 0.000 0.995 269 T CB 1.677 69.895 68.868 -1.082 0.000 1.260 269 T HN 0.974 nan 8.240 nan 0.000 0.581 270 W N -1.349 119.491 121.300 -0.767 0.000 2.803 270 W HA 0.631 5.324 4.660 0.054 0.000 0.424 270 W C -1.661 174.758 176.519 -0.167 0.000 1.092 270 W CA -1.089 56.056 57.345 -0.333 0.000 1.184 270 W CB 0.306 29.588 29.460 -0.298 0.000 1.470 270 W HN 0.619 nan 8.180 nan 0.000 0.598 271 E N 0.643 121.017 120.200 0.290 0.000 1.814 271 E HA 0.376 4.759 4.350 0.055 0.000 0.264 271 E C 0.597 177.432 176.600 0.391 0.000 1.179 271 E CA 0.127 56.684 56.400 0.261 0.000 0.972 271 E CB 0.390 30.250 29.700 0.266 0.000 1.077 271 E HN 0.680 nan 8.360 nan 0.000 0.417 272 G N 2.890 111.858 108.800 0.281 0.000 3.519 272 G HA2 -0.037 3.956 3.960 0.055 0.000 0.269 272 G HA3 -0.037 3.956 3.960 0.055 0.000 0.269 272 G C 0.154 175.088 174.900 0.058 0.000 1.028 272 G CA -0.503 44.768 45.100 0.285 0.000 0.809 272 G HN 0.454 nan 8.290 nan 0.000 0.521 273 N N 0.294 119.043 118.700 0.081 0.000 2.708 273 N HA -0.153 4.619 4.740 0.055 0.000 0.255 273 N C -0.257 175.192 175.510 -0.103 0.000 1.046 273 N CA 1.794 54.845 53.050 0.001 0.000 0.715 273 N CB -1.491 36.999 38.487 0.005 0.000 0.895 273 N HN 0.507 nan 8.380 nan 0.000 0.545 274 T N -1.855 112.664 114.554 -0.059 0.000 3.094 274 T HA 0.157 4.540 4.350 0.055 0.000 0.373 274 T C -0.174 174.552 174.700 0.043 0.000 1.806 274 T CA -0.493 61.555 62.100 -0.087 0.000 1.107 274 T CB 0.802 69.494 68.868 -0.293 0.000 1.632 274 T HN 0.141 nan 8.240 nan 0.000 0.488 275 E N 1.547 121.761 120.200 0.024 0.000 2.479 275 E HA 0.185 4.567 4.350 0.055 0.000 0.193 275 E C 0.208 176.851 176.600 0.071 0.000 1.049 275 E CA -0.022 56.410 56.400 0.054 0.000 0.870 275 E CB 0.574 30.283 29.700 0.014 0.000 0.944 275 E HN 0.343 nan 8.360 nan 0.000 0.492 276 V N 2.437 122.374 119.914 0.039 0.000 2.381 276 V HA 0.021 4.174 4.120 0.055 0.000 0.257 276 V C 1.325 177.476 176.094 0.095 0.000 1.057 276 V CA 0.366 62.683 62.300 0.028 0.000 1.013 276 V CB 0.307 32.114 31.823 -0.026 0.000 1.069 276 V HN 0.220 nan 8.190 nan 0.000 0.484 277 R N 2.499 123.072 120.500 0.122 0.000 2.127 277 R HA -0.194 4.179 4.340 0.055 0.000 0.238 277 R C 1.824 178.194 176.300 0.116 0.000 1.134 277 R CA 1.494 57.699 56.100 0.175 0.000 0.975 277 R CB 0.050 30.397 30.300 0.077 0.000 0.865 277 R HN 0.678 nan 8.270 nan 0.000 0.447 278 E N -0.342 119.888 120.200 0.050 0.000 2.160 278 E HA -0.230 4.153 4.350 0.055 0.000 0.195 278 E C 1.482 178.065 176.600 -0.029 0.000 0.991 278 E CA 1.145 57.554 56.400 0.015 0.000 0.810 278 E CB -0.343 29.365 29.700 0.014 0.000 0.742 278 E HN 0.411 nan 8.360 nan 0.000 0.466 279 Y N -0.220 119.948 120.300 -0.220 0.000 2.181 279 Y HA -0.303 4.280 4.550 0.055 0.000 0.288 279 Y C 1.539 177.164 175.900 -0.458 0.000 1.146 279 Y CA 1.594 59.472 58.100 -0.369 0.000 1.164 279 Y CB -0.311 37.805 38.460 -0.574 0.000 0.982 279 Y HN 0.076 nan 8.280 nan 0.000 0.515 280 Y N -0.371 119.755 120.300 -0.290 0.000 2.263 280 Y HA -0.069 4.514 4.550 0.055 0.000 0.292 280 Y C 2.651 178.440 175.900 -0.185 0.000 1.130 280 Y CA 0.987 58.770 58.100 -0.528 0.000 1.179 280 Y CB -1.128 36.953 38.460 -0.632 0.000 0.998 280 Y HN 0.220 nan 8.280 nan 0.000 0.532 281 A N 0.242 123.071 122.820 0.015 0.000 1.877 281 A HA -0.274 4.079 4.320 0.055 0.000 0.216 281 A C 2.273 179.856 177.584 -0.002 0.000 1.186 281 A CA 1.929 53.991 52.037 0.041 0.000 0.620 281 A CB -0.846 18.167 19.000 0.022 0.000 0.822 281 A HN 0.540 nan 8.150 nan 0.000 0.443 282 Q N -1.190 118.560 119.800 -0.082 0.000 2.079 282 Q HA -0.236 4.137 4.340 0.055 0.000 0.200 282 Q C 1.937 177.901 176.000 -0.060 0.000 0.974 282 Q CA 1.623 57.376 55.803 -0.083 0.000 0.840 282 Q CB -0.252 28.425 28.738 -0.103 0.000 0.898 282 Q HN 0.602 nan 8.270 nan 0.000 0.430 283 Q N 0.569 120.299 119.800 -0.117 0.000 2.119 283 Q HA -0.137 4.236 4.340 0.055 0.000 0.201 283 Q C 1.996 178.150 176.000 0.257 0.000 0.972 283 Q CA 1.446 57.290 55.803 0.068 0.000 0.847 283 Q CB -0.160 28.633 28.738 0.093 0.000 0.903 283 Q HN 0.574 nan 8.270 nan 0.000 0.433 284 Q N 0.055 120.044 119.800 0.315 0.000 2.119 284 Q HA -0.049 4.324 4.340 0.055 0.000 0.201 284 Q C 2.267 178.358 176.000 0.151 0.000 0.972 284 Q CA 0.700 56.725 55.803 0.370 0.000 0.847 284 Q CB -0.047 28.963 28.738 0.453 0.000 0.903 284 Q HN 0.315 nan 8.270 nan 0.000 0.433 285 L N 0.685 121.936 121.223 0.046 0.000 2.083 285 L HA -0.226 4.146 4.340 0.055 0.000 0.209 285 L C 2.191 179.054 176.870 -0.013 0.000 1.083 285 L CA 1.123 55.929 54.840 -0.057 0.000 0.752 285 L CB -0.355 41.670 42.059 -0.056 0.000 0.899 285 L HN 0.304 nan 8.230 nan 0.000 0.433 286 N N 0.141 118.879 118.700 0.064 0.000 2.142 286 N HA -0.155 4.618 4.740 0.055 0.000 0.186 286 N C 1.856 177.493 175.510 0.212 0.000 1.023 286 N CA 1.124 54.241 53.050 0.111 0.000 0.852 286 N CB -0.077 38.491 38.487 0.135 0.000 0.998 286 N HN 0.179 nan 8.380 nan 0.000 0.424 287 L N -0.157 121.227 121.223 0.268 0.000 2.012 287 L HA -0.149 4.223 4.340 0.055 0.000 0.210 287 L C 2.296 179.439 176.870 0.455 0.000 1.073 287 L CA 0.821 55.901 54.840 0.399 0.000 0.748 287 L CB -0.711 41.690 42.059 0.570 0.000 0.891 287 L HN 0.277 nan 8.230 nan 0.000 0.431 288 L N 0.392 121.644 121.223 0.049 0.000 2.042 288 L HA -0.227 4.146 4.340 0.055 0.000 0.210 288 L C 2.278 179.245 176.870 0.161 0.000 1.076 288 L CA 1.808 56.541 54.840 -0.179 0.000 0.749 288 L CB -0.730 40.914 42.059 -0.691 0.000 0.893 288 L HN 0.232 nan 8.230 nan 0.000 0.432 289 N N -0.730 118.005 118.700 0.060 0.000 2.205 289 N HA -0.225 4.548 4.740 0.055 0.000 0.186 289 N C 1.767 177.269 175.510 -0.014 0.000 1.015 289 N CA 1.531 54.587 53.050 0.010 0.000 0.862 289 N CB -0.432 38.021 38.487 -0.056 0.000 0.986 289 N HN 0.587 nan 8.380 nan 0.000 0.429 290 H N -1.411 117.668 119.070 0.015 0.000 2.491 290 H HA 0.031 4.620 4.556 0.055 0.000 0.290 290 H C 1.189 176.426 175.328 -0.151 0.000 1.050 290 H CA 1.184 57.163 56.048 -0.114 0.000 1.309 290 H CB 0.008 29.631 29.762 -0.230 0.000 1.392 290 H HN 0.224 nan 8.280 nan 0.000 0.554 291 F N -1.869 118.154 119.950 0.122 0.000 2.374 291 F HA -0.002 4.558 4.527 0.055 0.000 0.291 291 F C 2.470 178.241 175.800 -0.049 0.000 1.084 291 F CA 0.782 58.762 58.000 -0.033 0.000 1.413 291 F CB -0.185 38.706 39.000 -0.182 0.000 1.099 291 F HN -0.060 nan 8.300 nan 0.000 0.534 292 T N -0.701 113.980 114.554 0.212 0.000 2.985 292 T HA 0.011 4.394 4.350 0.055 0.000 0.266 292 T C 0.750 175.587 174.700 0.229 0.000 1.076 292 T CA 0.696 62.895 62.100 0.165 0.000 1.135 292 T CB -0.051 68.878 68.868 0.103 0.000 0.890 292 T HN -0.062 nan 8.240 nan 0.000 0.480 293 Q N -0.012 119.846 119.800 0.096 0.000 2.245 293 Q HA 0.604 4.977 4.340 0.055 0.000 0.256 293 Q C 1.013 176.629 176.000 -0.640 0.000 0.942 293 Q CA -0.351 55.360 55.803 -0.154 0.000 0.896 293 Q CB 1.510 30.139 28.738 -0.182 0.000 1.272 293 Q HN 0.180 nan 8.270 nan 0.000 0.442 294 A N 2.382 124.523 122.820 -1.132 0.000 2.024 294 A HA -0.222 4.131 4.320 0.055 0.000 0.220 294 A C 1.290 178.435 177.584 -0.732 0.000 1.164 294 A CA 1.715 52.786 52.037 -1.610 0.000 0.643 294 A CB -0.057 18.408 19.000 -0.891 0.000 0.806 294 A HN 0.675 nan 8.150 nan 0.000 0.451 295 E N 0.114 120.039 120.200 -0.459 0.000 2.371 295 E HA 0.199 4.581 4.350 0.055 0.000 0.194 295 E C 1.224 177.659 176.600 -0.275 0.000 1.012 295 E CA 0.403 56.631 56.400 -0.288 0.000 0.860 295 E CB -0.456 29.107 29.700 -0.229 0.000 0.811 295 E HN 0.480 nan 8.360 nan 0.000 0.502 296 G N 0.896 109.504 108.800 -0.320 0.000 2.483 296 G HA2 0.010 4.003 3.960 0.055 0.000 0.248 296 G HA3 0.010 4.003 3.960 0.055 0.000 0.248 296 G C -0.059 174.828 174.900 -0.021 0.000 1.248 296 G CA -0.479 44.419 45.100 -0.338 0.000 0.838 296 G HN -0.102 nan 8.290 nan 0.000 0.566 297 D N 0.465 121.063 120.400 0.330 0.000 2.350 297 D HA -0.061 4.611 4.640 0.055 0.000 0.216 297 D C 1.646 177.901 176.300 -0.074 0.000 0.968 297 D CA 0.840 54.905 54.000 0.108 0.000 0.894 297 D CB 0.191 41.002 40.800 0.019 0.000 0.909 297 D HN 0.286 nan 8.370 nan 0.000 0.520 298 L N 0.015 121.158 121.223 -0.133 0.000 3.218 298 L HA 0.243 4.616 4.340 0.055 0.000 0.279 298 L C 0.008 176.836 176.870 -0.069 0.000 1.287 298 L CA -0.765 53.875 54.840 -0.334 0.000 1.024 298 L CB 0.077 41.625 42.059 -0.853 0.000 1.409 298 L HN -0.177 nan 8.230 nan 0.000 0.580 299 F N 2.815 122.693 119.950 -0.121 0.000 2.590 299 F HA 0.005 4.565 4.527 0.055 0.000 0.389 299 F C 1.371 177.126 175.800 -0.075 0.000 1.049 299 F CA -0.311 57.638 58.000 -0.085 0.000 1.199 299 F CB 0.612 39.576 39.000 -0.059 0.000 1.058 299 F HN 0.166 nan 8.300 nan 0.000 0.556 300 I N 2.926 123.085 120.570 -0.684 0.000 3.427 300 I HA 0.492 4.695 4.170 0.055 0.000 0.288 300 I C 0.794 176.362 176.117 -0.915 0.000 1.249 300 I CA 0.538 61.370 61.300 -0.780 0.000 1.421 300 I CB -0.516 36.910 38.000 -0.957 0.000 1.086 300 I HN 0.757 nan 8.210 nan 0.000 0.448 301 G N 1.746 109.652 108.800 -1.490 0.000 2.592 301 G HA2 -0.195 3.798 3.960 0.055 0.000 0.685 301 G HA3 -0.195 3.798 3.960 0.055 0.000 0.685 301 G C -0.432 174.312 174.900 -0.260 0.000 1.278 301 G CA -0.041 44.555 45.100 -0.841 0.000 0.822 301 G HN 0.201 nan 8.290 nan 0.000 0.652 302 D N -0.248 120.292 120.400 0.233 0.000 2.263 302 D HA -0.122 4.550 4.640 0.055 0.000 0.208 302 D C 2.023 178.465 176.300 0.236 0.000 0.971 302 D CA 1.835 56.035 54.000 0.332 0.000 0.867 302 D CB 0.080 41.094 40.800 0.357 0.000 0.929 302 D HN 0.640 nan 8.370 nan 0.000 0.492 303 H N -2.067 117.086 119.070 0.138 0.000 2.524 303 H HA 0.049 4.638 4.556 0.055 0.000 0.280 303 H C -0.459 174.884 175.328 0.025 0.000 1.018 303 H CA -0.233 55.854 56.048 0.065 0.000 1.165 303 H CB -1.113 28.650 29.762 0.002 0.000 1.411 303 H HN 0.165 nan 8.280 nan 0.000 0.569 304 Y N 2.099 122.240 120.300 -0.265 0.000 2.313 304 Y HA 0.184 4.766 4.550 0.055 0.000 0.332 304 Y C 0.783 176.692 175.900 0.015 0.000 1.071 304 Y CA -0.580 57.432 58.100 -0.147 0.000 1.169 304 Y CB 1.354 39.710 38.460 -0.173 0.000 1.192 304 Y HN 0.030 nan 8.280 nan 0.000 0.487 305 K N 4.675 125.176 120.400 0.168 0.000 2.276 305 K HA 0.393 4.746 4.320 0.055 0.000 0.283 305 K C -1.090 175.645 176.600 0.224 0.000 1.044 305 K CA -0.176 56.186 56.287 0.125 0.000 0.944 305 K CB 0.337 32.888 32.500 0.086 0.000 1.012 305 K HN 0.631 nan 8.250 nan 0.000 0.472 306 I N 4.728 125.359 120.570 0.102 0.000 2.385 306 I HA 0.267 4.470 4.170 0.055 0.000 0.294 306 I C -0.725 175.393 176.117 0.002 0.000 0.988 306 I CA -0.839 60.598 61.300 0.228 0.000 1.265 306 I CB 0.782 38.919 38.000 0.228 0.000 1.388 306 I HN 0.554 nan 8.210 nan 0.000 0.480 307 Y N 4.405 124.824 120.300 0.198 0.000 2.605 307 Y HA 0.565 5.148 4.550 0.055 0.000 0.343 307 Y C -0.875 175.172 175.900 0.246 0.000 1.036 307 Y CA -1.014 57.185 58.100 0.166 0.000 1.065 307 Y CB 2.020 40.536 38.460 0.094 0.000 1.288 307 Y HN 0.362 nan 8.280 nan 0.000 0.481 308 F N 1.625 121.706 119.950 0.219 0.000 2.539 308 F HA 0.508 5.068 4.527 0.055 0.000 0.318 308 F C -0.879 174.972 175.800 0.085 0.000 1.135 308 F CA -0.906 57.188 58.000 0.156 0.000 0.915 308 F CB 1.160 40.241 39.000 0.134 0.000 1.176 308 F HN 0.365 nan 8.300 nan 0.000 0.440 309 K N 5.135 125.225 120.400 -0.517 0.000 2.478 309 K HA 0.478 4.831 4.320 0.055 0.000 0.236 309 K C -0.045 175.980 176.600 -0.959 0.000 1.021 309 K CA -0.469 55.453 56.287 -0.608 0.000 1.010 309 K CB 0.957 33.188 32.500 -0.448 0.000 1.331 309 K HN 0.803 nan 8.250 nan 0.000 0.470 310 G N 1.654 109.790 108.800 -1.108 0.000 2.539 310 G HA2 0.010 4.003 3.960 0.055 0.000 0.258 310 G HA3 0.010 4.003 3.960 0.055 0.000 0.258 310 G C -0.664 174.055 174.900 -0.301 0.000 1.202 310 G CA -0.397 44.236 45.100 -0.779 0.000 0.851 310 G HN 0.674 nan 8.290 nan 0.000 0.556 311 H N 2.028 120.975 119.070 -0.205 0.000 3.001 311 H HA 0.040 4.629 4.556 0.055 0.000 0.334 311 H C -1.306 173.956 175.328 -0.110 0.000 1.034 311 H CA -1.143 54.824 56.048 -0.134 0.000 1.420 311 H CB 1.652 31.384 29.762 -0.051 0.000 1.405 311 H HN 0.117 nan 8.280 nan 0.000 0.593 312 P HA -0.098 nan 4.420 nan 0.000 0.216 312 P C 0.518 177.893 177.300 0.125 0.000 1.150 312 P CA 1.517 64.616 63.100 -0.001 0.000 0.837 312 P CB 0.190 31.835 31.700 -0.092 0.000 0.786 313 R N -0.470 120.242 120.500 0.353 0.000 3.541 313 R HA 0.256 4.629 4.340 0.055 0.000 0.277 313 R C 1.662 177.966 176.300 0.006 0.000 1.539 313 R CA 0.031 56.215 56.100 0.140 0.000 1.338 313 R CB -0.566 29.795 30.300 0.102 0.000 1.343 313 R HN 0.212 nan 8.270 nan 0.000 0.623 314 G N -0.177 108.668 108.800 0.075 0.000 2.459 314 G HA2 0.115 4.108 3.960 0.055 0.000 0.213 314 G HA3 0.115 4.108 3.960 0.055 0.000 0.213 314 G C 0.969 175.900 174.900 0.051 0.000 1.155 314 G CA 0.524 45.659 45.100 0.058 0.000 0.811 314 G HN 0.520 nan 8.290 nan 0.000 0.534 315 G N 1.393 110.224 108.800 0.052 0.000 2.596 315 G HA2 -0.410 3.583 3.960 0.055 0.000 0.304 315 G HA3 -0.410 3.583 3.960 0.055 0.000 0.304 315 G C 1.359 176.289 174.900 0.051 0.000 1.189 315 G CA 1.180 46.304 45.100 0.039 0.000 0.986 315 G HN 0.728 nan 8.290 nan 0.000 0.548 316 E N 1.390 121.612 120.200 0.036 0.000 2.208 316 E HA 0.026 4.408 4.350 0.055 0.000 0.193 316 E C 2.748 179.375 176.600 0.046 0.000 0.988 316 E CA 1.536 57.956 56.400 0.034 0.000 0.828 316 E CB -0.236 29.477 29.700 0.021 0.000 0.763 316 E HN 0.743 nan 8.360 nan 0.000 0.478 317 I N 1.606 122.213 120.570 0.061 0.000 2.226 317 I HA -0.272 3.931 4.170 0.055 0.000 0.245 317 I C 1.839 178.027 176.117 0.119 0.000 1.100 317 I CA 1.313 62.664 61.300 0.085 0.000 1.374 317 I CB -0.429 37.634 38.000 0.104 0.000 1.057 317 I HN 0.048 nan 8.210 nan 0.000 0.413 318 N N 0.887 119.693 118.700 0.177 0.000 2.223 318 N HA -0.183 4.590 4.740 0.055 0.000 0.185 318 N C 1.390 176.962 175.510 0.103 0.000 1.016 318 N CA 1.303 54.518 53.050 0.275 0.000 0.863 318 N CB -0.442 38.244 38.487 0.331 0.000 0.983 318 N HN 0.314 nan 8.380 nan 0.000 0.429 319 D N 0.491 120.930 120.400 0.066 0.000 2.084 319 D HA -0.092 4.580 4.640 0.055 0.000 0.194 319 D C 1.965 178.254 176.300 -0.018 0.000 0.990 319 D CA 0.516 54.529 54.000 0.023 0.000 0.826 319 D CB -0.269 40.545 40.800 0.024 0.000 0.971 319 D HN 0.300 nan 8.370 nan 0.000 0.453 320 I N 0.179 120.738 120.570 -0.018 0.000 2.127 320 I HA -0.259 3.943 4.170 0.055 0.000 0.241 320 I C 2.006 178.067 176.117 -0.093 0.000 1.075 320 I CA 1.375 62.651 61.300 -0.040 0.000 1.334 320 I CB -0.124 37.863 38.000 -0.022 0.000 1.040 320 I HN -0.036 nan 8.210 nan 0.000 0.405 321 I N 0.710 121.194 120.570 -0.143 0.000 2.118 321 I HA -0.355 3.848 4.170 0.055 0.000 0.241 321 I C 2.504 178.436 176.117 -0.309 0.000 1.070 321 I CA 1.874 62.998 61.300 -0.294 0.000 1.327 321 I CB -0.581 37.087 38.000 -0.553 0.000 1.034 321 I HN 0.326 nan 8.210 nan 0.000 0.405 322 L N 0.277 121.339 121.223 -0.269 0.000 2.127 322 L HA -0.222 4.151 4.340 0.055 0.000 0.211 322 L C 2.044 178.854 176.870 -0.100 0.000 1.089 322 L CA 1.331 56.070 54.840 -0.169 0.000 0.757 322 L CB -0.687 41.334 42.059 -0.062 0.000 0.899 322 L HN 0.417 nan 8.230 nan 0.000 0.434 323 N N -0.460 118.191 118.700 -0.081 0.000 2.405 323 N HA -0.027 4.746 4.740 0.055 0.000 0.175 323 N C 0.885 176.361 175.510 -0.057 0.000 1.051 323 N CA 0.527 53.544 53.050 -0.054 0.000 0.899 323 N CB 0.147 38.613 38.487 -0.035 0.000 1.000 323 N HN 0.448 nan 8.380 nan 0.000 0.451 324 N N 0.497 119.151 118.700 -0.076 0.000 2.214 324 N HA 0.148 4.920 4.740 0.055 0.000 0.214 324 N C -0.298 175.162 175.510 -0.083 0.000 1.132 324 N CA -0.016 52.992 53.050 -0.070 0.000 0.856 324 N CB 1.387 39.835 38.487 -0.064 0.000 1.020 324 N HN 0.062 nan 8.380 nan 0.000 0.509 325 A N 0.560 123.319 122.820 -0.101 0.000 2.340 325 A HA 0.415 4.768 4.320 0.055 0.000 0.331 325 A C 0.914 178.458 177.584 -0.065 0.000 1.140 325 A CA -0.603 51.375 52.037 -0.098 0.000 0.801 325 A CB 2.111 21.023 19.000 -0.147 0.000 1.234 325 A HN -0.088 nan 8.150 nan 0.000 0.469 326 K N 0.572 120.946 120.400 -0.044 0.000 1.993 326 K HA -0.043 4.310 4.320 0.055 0.000 0.220 326 K C 0.235 176.818 176.600 -0.028 0.000 1.014 326 K CA 0.769 57.038 56.287 -0.029 0.000 1.028 326 K CB -0.095 32.396 32.500 -0.016 0.000 0.862 326 K HN 0.708 nan 8.250 nan 0.000 0.446 327 N N 1.592 120.279 118.700 -0.022 0.000 2.949 327 N HA 0.142 4.914 4.740 0.055 0.000 0.243 327 N C -1.453 174.025 175.510 -0.055 0.000 1.113 327 N CA 0.021 53.050 53.050 -0.034 0.000 0.980 327 N CB -0.147 38.323 38.487 -0.029 0.000 1.256 327 N HN 0.240 nan 8.380 nan 0.000 0.508 328 I N 1.539 122.077 120.570 -0.053 0.000 2.354 328 I HA 0.260 4.463 4.170 0.055 0.000 0.292 328 I C -0.309 175.777 176.117 -0.052 0.000 0.989 328 I CA -0.319 60.951 61.300 -0.051 0.000 1.188 328 I CB 1.164 39.145 38.000 -0.032 0.000 1.342 328 I HN 0.103 nan 8.210 nan 0.000 0.457 329 T N 6.864 121.347 114.554 -0.118 0.000 2.767 329 T HA 0.177 4.559 4.350 0.055 0.000 0.288 329 T C 0.002 174.792 174.700 0.150 0.000 0.963 329 T CA -0.408 61.663 62.100 -0.049 0.000 1.019 329 T CB 0.322 69.056 68.868 -0.223 0.000 0.923 329 T HN 0.585 nan 8.240 nan 0.000 0.468 330 N N 3.821 122.620 118.700 0.165 0.000 2.520 330 N HA 0.203 4.976 4.740 0.055 0.000 0.273 330 N C -0.354 175.266 175.510 0.183 0.000 1.155 330 N CA -0.329 52.855 53.050 0.225 0.000 0.967 330 N CB 0.566 39.165 38.487 0.186 0.000 1.092 330 N HN 0.673 nan 8.380 nan 0.000 0.457 331 I N 1.743 122.392 120.570 0.133 0.000 2.362 331 I HA 0.528 4.731 4.170 0.055 0.000 0.289 331 I C -2.575 173.507 176.117 -0.058 0.000 0.994 331 I CA -2.272 59.047 61.300 0.031 0.000 1.158 331 I CB 1.840 39.823 38.000 -0.029 0.000 1.315 331 I HN 0.339 nan 8.210 nan 0.000 0.451 332 P HA 0.077 nan 4.420 nan 0.000 0.270 332 P C 0.708 177.907 177.300 -0.167 0.000 1.223 332 P CA -0.055 62.991 63.100 -0.091 0.000 0.785 332 P CB 0.982 32.643 31.700 -0.064 0.000 0.923 333 A N 2.906 125.629 122.820 -0.161 0.000 1.986 333 A HA -0.244 4.109 4.320 0.055 0.000 0.220 333 A C 1.796 179.238 177.584 -0.238 0.000 1.171 333 A CA 2.024 53.938 52.037 -0.206 0.000 0.640 333 A CB -1.345 17.555 19.000 -0.167 0.000 0.811 333 A HN 0.756 nan 8.150 nan 0.000 0.451 334 N N -0.045 118.524 118.700 -0.218 0.000 2.459 334 N HA -0.027 4.746 4.740 0.055 0.000 0.181 334 N C 0.203 175.542 175.510 -0.286 0.000 1.046 334 N CA 0.517 53.424 53.050 -0.239 0.000 0.904 334 N CB -0.355 38.011 38.487 -0.202 0.000 0.964 334 N HN 0.423 nan 8.380 nan 0.000 0.444 335 I N 2.379 122.743 120.570 -0.344 0.000 2.256 335 I HA 0.049 4.252 4.170 0.055 0.000 0.294 335 I C 0.589 176.471 176.117 -0.393 0.000 1.127 335 I CA -0.328 60.689 61.300 -0.471 0.000 1.247 335 I CB 0.553 38.169 38.000 -0.641 0.000 1.460 335 I HN 0.094 nan 8.210 nan 0.000 0.511 336 S N 4.224 119.731 115.700 -0.322 0.000 2.681 336 S HA 0.366 4.868 4.470 0.055 0.000 0.270 336 S C 1.050 175.492 174.600 -0.263 0.000 1.209 336 S CA -0.502 57.491 58.200 -0.345 0.000 0.988 336 S CB 0.603 63.665 63.200 -0.230 0.000 1.006 336 S HN 0.352 nan 8.310 nan 0.000 0.558 337 F N 0.952 120.774 119.950 -0.213 0.000 2.171 337 F HA 0.029 4.589 4.527 0.055 0.000 0.300 337 F C 2.435 178.131 175.800 -0.173 0.000 1.090 337 F CA 1.241 59.100 58.000 -0.236 0.000 1.293 337 F CB -1.326 37.504 39.000 -0.282 0.000 1.013 337 F HN 0.663 nan 8.300 nan 0.000 0.486 338 E N -0.060 120.197 120.200 0.096 0.000 2.077 338 E HA -0.153 4.230 4.350 0.055 0.000 0.193 338 E C 2.402 179.108 176.600 0.178 0.000 0.989 338 E CA 1.382 57.890 56.400 0.179 0.000 0.800 338 E CB -0.456 29.385 29.700 0.234 0.000 0.746 338 E HN 0.137 nan 8.360 nan 0.000 0.452 339 V N 1.489 121.445 119.914 0.070 0.000 2.295 339 V HA -0.195 3.958 4.120 0.055 0.000 0.246 339 V C 1.502 177.628 176.094 0.054 0.000 1.049 339 V CA 1.101 63.427 62.300 0.044 0.000 1.024 339 V CB -0.454 31.287 31.823 -0.136 0.000 0.648 339 V HN 0.171 nan 8.190 nan 0.000 0.447 344 G N 1.763 110.560 108.800 -0.005 0.000 2.273 344 G HA2 -0.228 3.765 3.960 0.055 0.000 0.280 344 G HA3 -0.228 3.765 3.960 0.055 0.000 0.280 344 G C 0.367 175.269 174.900 0.003 0.000 1.047 344 G CA 0.577 45.693 45.100 0.025 0.000 0.869 344 G HN 0.742 nan 8.290 nan 0.000 0.502 345 L N -0.853 120.367 121.223 -0.004 0.000 3.066 345 L HA 0.388 4.761 4.340 0.055 0.000 0.265 345 L C 0.926 177.771 176.870 -0.041 0.000 1.232 345 L CA -0.744 54.099 54.840 0.004 0.000 1.031 345 L CB 0.359 42.466 42.059 0.079 0.000 1.379 345 L HN 0.254 nan 8.230 nan 0.000 0.563 346 L N 2.036 123.212 121.223 -0.078 0.000 2.410 346 L HA 0.319 4.692 4.340 0.055 0.000 0.273 346 L C -1.882 174.916 176.870 -0.120 0.000 1.152 346 L CA -1.045 53.718 54.840 -0.128 0.000 0.855 346 L CB 0.206 42.150 42.059 -0.192 0.000 1.129 346 L HN -0.133 nan 8.230 nan 0.000 0.463 347 P HA 0.043 nan 4.420 nan 0.000 0.273 347 P C 0.023 177.306 177.300 -0.028 0.000 1.258 347 P CA -0.151 62.895 63.100 -0.090 0.000 0.802 347 P CB 0.478 32.109 31.700 -0.115 0.000 1.040 348 D N -0.390 120.054 120.400 0.073 0.000 2.149 348 D HA -0.041 4.632 4.640 0.055 0.000 0.201 348 D C 0.264 176.653 176.300 0.148 0.000 0.972 348 D CA 1.455 55.530 54.000 0.125 0.000 0.835 348 D CB 0.263 41.183 40.800 0.199 0.000 0.966 348 D HN 0.348 nan 8.370 nan 0.000 0.476 349 K N 0.603 121.128 120.400 0.209 0.000 2.435 349 K HA 0.582 4.935 4.320 0.055 0.000 0.251 349 K C -0.871 175.749 176.600 0.033 0.000 0.954 349 K CA -0.735 55.660 56.287 0.179 0.000 0.820 349 K CB 3.506 36.190 32.500 0.308 0.000 1.292 349 K HN -0.239 nan 8.250 nan 0.000 0.436 350 V N 0.427 120.309 119.914 -0.053 0.000 2.686 350 V HA 0.753 4.906 4.120 0.055 0.000 0.306 350 V C -0.070 175.999 176.094 -0.042 0.000 1.065 350 V CA -0.692 61.429 62.300 -0.297 0.000 0.894 350 V CB 1.941 33.451 31.823 -0.523 0.000 1.004 350 V HN 1.015 nan 8.190 nan 0.000 0.424 351 G N 1.372 110.025 108.800 -0.244 0.000 2.649 351 G HA2 0.903 4.895 3.960 0.055 0.000 0.290 351 G HA3 0.903 4.895 3.960 0.055 0.000 0.290 351 G C -0.334 174.376 174.900 -0.317 0.000 1.426 351 G CA 0.349 45.455 45.100 0.011 0.000 0.794 351 G HN 1.568 nan 8.290 nan 0.000 0.483 352 G N -1.959 106.756 108.800 -0.141 0.000 2.250 352 G HA2 0.377 4.370 3.960 0.055 0.000 0.252 352 G HA3 0.377 4.370 3.960 0.055 0.000 0.252 352 G C -0.631 174.121 174.900 -0.247 0.000 1.325 352 G CA 0.014 44.801 45.100 -0.522 0.000 1.091 352 G HN 1.570 nan 8.290 nan 0.000 0.476 353 V N 1.810 121.504 119.914 -0.368 0.000 2.655 353 V HA 0.453 4.606 4.120 0.055 0.000 0.300 353 V C 1.489 177.454 176.094 -0.214 0.000 1.044 353 V CA 0.365 62.526 62.300 -0.231 0.000 1.095 353 V CB 0.677 32.399 31.823 -0.169 0.000 0.952 353 V HN 1.934 nan 8.190 nan 0.000 0.485 354 A N 4.312 126.870 122.820 -0.437 0.000 2.511 354 A HA 0.503 4.856 4.320 0.055 0.000 0.242 354 A C 0.481 177.986 177.584 -0.133 0.000 1.069 354 A CA 0.647 52.350 52.037 -0.557 0.000 0.763 354 A CB 0.230 18.282 19.000 -1.580 0.000 1.001 354 A HN 1.203 nan 8.150 nan 0.000 0.498 355 S N 0.531 116.291 115.700 0.100 0.000 2.537 355 S HA 0.426 4.929 4.470 0.055 0.000 0.270 355 S C 0.898 175.400 174.600 -0.164 0.000 1.142 355 S CA 0.158 58.394 58.200 0.060 0.000 0.870 355 S CB 1.080 64.302 63.200 0.036 0.000 1.112 355 S HN 1.689 nan 8.310 nan 0.000 0.466 356 S N 3.341 118.720 115.700 -0.535 0.000 2.440 356 S HA -0.081 4.422 4.470 0.055 0.000 0.238 356 S C 1.808 176.187 174.600 -0.369 0.000 1.010 356 S CA 1.121 58.662 58.200 -1.098 0.000 0.972 356 S CB -0.927 61.917 63.200 -0.593 0.000 0.774 356 S HN 0.703 nan 8.310 nan 0.000 0.501 357 L N -0.576 120.583 121.223 -0.106 0.000 2.129 357 L HA -0.131 4.242 4.340 0.055 0.000 0.212 357 L C 2.281 179.223 176.870 0.120 0.000 1.087 357 L CA 1.440 56.326 54.840 0.076 0.000 0.757 357 L CB -0.841 41.266 42.059 0.080 0.000 0.896 357 L HN 0.281 nan 8.230 nan 0.000 0.434 358 Y N -1.308 118.991 120.300 -0.001 0.000 2.465 358 Y HA -0.280 4.303 4.550 0.055 0.000 0.289 358 Y C 2.254 178.141 175.900 -0.022 0.000 1.150 358 Y CA 1.310 59.369 58.100 -0.069 0.000 1.293 358 Y CB -0.509 37.942 38.460 -0.015 0.000 0.977 358 Y HN 0.119 nan 8.280 nan 0.000 0.556 359 F N -0.114 119.852 119.950 0.026 0.000 2.171 359 F HA -0.250 4.310 4.527 0.055 0.000 0.300 359 F C 2.268 178.063 175.800 -0.007 0.000 1.090 359 F CA 1.668 59.685 58.000 0.029 0.000 1.293 359 F CB -0.218 38.787 39.000 0.009 0.000 1.013 359 F HN -0.188 nan 8.300 nan 0.000 0.486 360 S N 0.700 116.381 115.700 -0.032 0.000 2.481 360 S HA 0.057 4.560 4.470 0.055 0.000 0.231 360 S C 0.731 175.169 174.600 -0.271 0.000 0.996 360 S CA 0.112 58.243 58.200 -0.115 0.000 0.942 360 S CB -0.468 62.770 63.200 0.064 0.000 0.768 360 S HN 0.138 nan 8.310 nan 0.000 0.520 361 L N 2.481 123.519 121.223 -0.309 0.000 2.397 361 L HA 0.274 4.647 4.340 0.055 0.000 0.271 361 L C -2.399 174.302 176.870 -0.282 0.000 1.148 361 L CA -2.052 52.566 54.840 -0.371 0.000 0.825 361 L CB -0.159 41.632 42.059 -0.446 0.000 1.117 361 L HN -0.082 nan 8.230 nan 0.000 0.456 362 P HA 0.044 nan 4.420 nan 0.000 0.271 362 P C 0.246 177.468 177.300 -0.130 0.000 1.216 362 P CA -0.436 62.556 63.100 -0.180 0.000 0.776 362 P CB 0.713 32.313 31.700 -0.166 0.000 0.881 363 K N 3.174 123.520 120.400 -0.089 0.000 2.089 363 K HA -0.240 4.113 4.320 0.055 0.000 0.210 363 K C 1.516 178.093 176.600 -0.038 0.000 1.048 363 K CA 1.759 58.013 56.287 -0.054 0.000 0.926 363 K CB -0.040 32.439 32.500 -0.034 0.000 0.714 363 K HN 0.539 nan 8.250 nan 0.000 0.448 364 E N 0.744 120.923 120.200 -0.035 0.000 2.338 364 E HA -0.185 4.197 4.350 0.055 0.000 0.197 364 E C 0.997 177.589 176.600 -0.012 0.000 1.007 364 E CA 1.178 57.570 56.400 -0.014 0.000 0.849 364 E CB 0.003 29.700 29.700 -0.005 0.000 0.774 364 E HN 0.370 nan 8.360 nan 0.000 0.506 365 K N 0.358 120.730 120.400 -0.046 0.000 2.379 365 K HA 0.269 4.622 4.320 0.055 0.000 0.194 365 K C 0.621 177.200 176.600 -0.036 0.000 1.031 365 K CA -0.046 56.210 56.287 -0.051 0.000 1.037 365 K CB 0.478 32.902 32.500 -0.127 0.000 0.824 365 K HN 0.102 nan 8.250 nan 0.000 0.516 366 I N 1.767 122.325 120.570 -0.020 0.000 2.371 366 I HA -0.058 4.144 4.170 0.055 0.000 0.290 366 I C 1.277 177.419 176.117 0.043 0.000 1.028 366 I CA -0.230 61.094 61.300 0.041 0.000 1.345 366 I CB 1.541 39.575 38.000 0.057 0.000 1.407 366 I HN 0.120 nan 8.210 nan 0.000 0.501 367 S N 4.840 120.612 115.700 0.120 0.000 2.460 367 S HA 0.196 4.699 4.470 0.055 0.000 0.185 367 S C 0.226 174.762 174.600 -0.108 0.000 0.908 367 S CA 0.086 58.346 58.200 0.100 0.000 0.894 367 S CB 0.002 63.405 63.200 0.340 0.000 0.855 367 S HN 0.631 nan 8.310 nan 0.000 0.574 368 H N -0.361 118.919 119.070 0.350 0.000 2.806 368 H HA 0.686 5.274 4.556 0.055 0.000 0.367 368 H C -1.283 174.167 175.328 0.204 0.000 1.136 368 H CA -0.599 55.608 56.048 0.264 0.000 1.178 368 H CB 1.651 31.557 29.762 0.239 0.000 1.718 368 H HN 0.292 nan 8.280 nan 0.000 0.540 369 I N 3.649 124.291 120.570 0.121 0.000 2.406 369 I HA 0.321 4.524 4.170 0.055 0.000 0.290 369 I C -0.646 175.487 176.117 0.027 0.000 0.999 369 I CA -0.811 60.392 61.300 -0.160 0.000 1.124 369 I CB 1.577 39.347 38.000 -0.383 0.000 1.289 369 I HN 0.451 nan 8.210 nan 0.000 0.441 370 I N 5.037 125.569 120.570 -0.063 0.000 2.406 370 I HA 0.540 4.743 4.170 0.055 0.000 0.290 370 I C -1.528 174.527 176.117 -0.103 0.000 0.999 370 I CA -0.088 61.247 61.300 0.058 0.000 1.124 370 I CB 1.069 39.138 38.000 0.115 0.000 1.289 370 I HN 0.218 nan 8.210 nan 0.000 0.441 371 F N 5.042 125.035 119.950 0.072 0.000 2.415 371 F HA 0.534 5.093 4.527 0.055 0.000 0.348 371 F C 1.007 176.817 175.800 0.016 0.000 1.119 371 F CA -0.483 57.574 58.000 0.094 0.000 1.069 371 F CB 1.734 40.864 39.000 0.216 0.000 1.124 371 F HN 0.631 nan 8.300 nan 0.000 0.472 372 T N -1.120 113.386 114.554 -0.080 0.000 2.824 372 T HA 0.507 4.890 4.350 0.055 0.000 0.277 372 T C 0.170 174.885 174.700 0.025 0.000 0.975 372 T CA -0.895 60.882 62.100 -0.537 0.000 0.966 372 T CB 1.200 69.336 68.868 -1.220 0.000 1.054 372 T HN 0.587 nan 8.240 nan 0.000 0.533 373 S N 1.419 117.124 115.700 0.009 0.000 2.513 373 S HA 0.576 5.079 4.470 0.055 0.000 0.276 373 S C -0.293 174.499 174.600 0.320 0.000 1.254 373 S CA -0.809 57.670 58.200 0.465 0.000 1.053 373 S CB -0.019 63.592 63.200 0.686 0.000 0.958 373 S HN 1.057 nan 8.310 nan 0.000 0.491 374 N N 1.910 120.782 118.700 0.286 0.000 3.506 374 N HA 0.382 5.155 4.740 0.055 0.000 0.331 374 N C 0.131 175.738 175.510 0.162 0.000 1.631 374 N CA -1.132 52.038 53.050 0.199 0.000 0.786 374 N CB 0.210 38.797 38.487 0.167 0.000 2.023 374 N HN 0.443 nan 8.380 nan 0.000 0.621 375 K N -0.575 119.896 120.400 0.118 0.000 2.057 375 K HA -0.177 4.176 4.320 0.055 0.000 0.206 375 K C 1.657 178.301 176.600 0.073 0.000 1.050 375 K CA 1.882 58.221 56.287 0.088 0.000 0.935 375 K CB -0.323 32.218 32.500 0.068 0.000 0.715 375 K HN 0.720 nan 8.250 nan 0.000 0.439 376 Q N 1.050 120.896 119.800 0.077 0.000 2.245 376 Q HA 0.009 4.382 4.340 0.055 0.000 0.201 376 Q C 0.707 176.728 176.000 0.035 0.000 0.955 376 Q CA 0.627 56.460 55.803 0.050 0.000 0.870 376 Q CB 0.265 29.033 28.738 0.050 0.000 0.945 376 Q HN 0.101 nan 8.270 nan 0.000 0.461 377 V N 1.016 120.981 119.914 0.084 0.000 2.407 377 V HA 0.345 4.498 4.120 0.055 0.000 0.291 377 V C -0.531 175.612 176.094 0.081 0.000 1.018 377 V CA -0.720 61.611 62.300 0.051 0.000 0.842 377 V CB 1.680 33.561 31.823 0.097 0.000 0.996 377 V HN 0.191 nan 8.190 nan 0.000 0.426 378 K N 4.153 124.479 120.400 -0.123 0.000 2.402 378 K HA 0.349 4.702 4.320 0.055 0.000 0.204 378 K C 0.281 176.436 176.600 -0.741 0.000 1.056 378 K CA 0.647 56.845 56.287 -0.148 0.000 1.069 378 K CB 0.928 33.400 32.500 -0.045 0.000 0.888 378 K HN 0.890 nan 8.250 nan 0.000 0.546 379 S N -1.223 113.801 115.700 -1.126 0.000 2.636 379 S HA 0.249 4.752 4.470 0.055 0.000 0.266 379 S C 0.526 174.651 174.600 -0.792 0.000 1.147 379 S CA -0.826 56.617 58.200 -1.262 0.000 0.815 379 S CB 2.010 64.894 63.200 -0.527 0.000 1.119 379 S HN -0.019 nan 8.310 nan 0.000 0.470 380 K N 0.587 120.743 120.400 -0.408 0.000 2.057 380 K HA -0.111 4.241 4.320 0.055 0.000 0.207 380 K C 1.868 178.334 176.600 -0.224 0.000 1.049 380 K CA 1.704 57.889 56.287 -0.169 0.000 0.931 380 K CB -0.392 32.083 32.500 -0.043 0.000 0.714 380 K HN 0.692 nan 8.250 nan 0.000 0.440 381 E N 0.608 120.681 120.200 -0.212 0.000 2.070 381 E HA -0.244 4.139 4.350 0.055 0.000 0.197 381 E C 1.244 177.720 176.600 -0.205 0.000 1.004 381 E CA 1.897 58.190 56.400 -0.178 0.000 0.805 381 E CB -0.040 29.570 29.700 -0.149 0.000 0.744 381 E HN 0.360 nan 8.360 nan 0.000 0.451 382 D N -0.003 120.253 120.400 -0.240 0.000 2.144 382 D HA -0.098 4.575 4.640 0.055 0.000 0.200 382 D C 1.771 177.894 176.300 -0.295 0.000 0.978 382 D CA 1.264 55.129 54.000 -0.225 0.000 0.833 382 D CB -0.334 40.338 40.800 -0.212 0.000 0.961 382 D HN 0.295 nan 8.370 nan 0.000 0.470 383 A N 0.629 123.205 122.820 -0.406 0.000 1.902 383 A HA -0.116 4.237 4.320 0.055 0.000 0.217 383 A C 2.296 179.481 177.584 -0.665 0.000 1.181 383 A CA 0.882 52.462 52.037 -0.761 0.000 0.623 383 A CB -0.815 17.618 19.000 -0.946 0.000 0.818 383 A HN 0.225 nan 8.150 nan 0.000 0.443 384 L N -0.123 120.861 121.223 -0.399 0.000 2.265 384 L HA -0.141 4.232 4.340 0.055 0.000 0.215 384 L C 1.461 178.201 176.870 -0.216 0.000 1.117 384 L CA 0.800 55.482 54.840 -0.263 0.000 0.782 384 L CB -0.428 41.531 42.059 -0.166 0.000 0.914 384 L HN 0.371 nan 8.230 nan 0.000 0.441 385 N N -0.340 118.229 118.700 -0.219 0.000 2.336 385 N HA -0.026 4.747 4.740 0.055 0.000 0.189 385 N C 0.385 175.789 175.510 -0.176 0.000 1.113 385 N CA 0.040 52.992 53.050 -0.163 0.000 0.858 385 N CB -0.122 38.286 38.487 -0.132 0.000 0.970 385 N HN 0.339 nan 8.380 nan 0.000 0.471 386 N N 2.296 120.838 118.700 -0.262 0.000 2.454 386 N HA 0.002 4.775 4.740 0.055 0.000 0.254 386 N C -1.778 173.592 175.510 -0.232 0.000 1.228 386 N CA -1.018 51.871 53.050 -0.268 0.000 0.900 386 N CB 1.782 40.027 38.487 -0.404 0.000 1.089 386 N HN -0.109 nan 8.380 nan 0.000 0.449 387 P HA -0.166 nan 4.420 nan 0.000 0.213 387 P C 0.974 178.263 177.300 -0.019 0.000 1.170 387 P CA 1.959 65.025 63.100 -0.057 0.000 0.902 387 P CB -0.226 31.477 31.700 0.005 0.000 0.789 388 Y N -1.734 118.577 120.300 0.017 0.000 2.293 388 Y HA -0.078 4.505 4.550 0.055 0.000 0.291 388 Y C 1.868 177.840 175.900 0.120 0.000 1.137 388 Y CA 0.556 58.666 58.100 0.016 0.000 1.202 388 Y CB -1.772 36.702 38.460 0.023 0.000 0.990 388 Y HN -0.270 nan 8.280 nan 0.000 0.537 389 V N 1.098 120.848 119.914 -0.272 0.000 2.343 389 V HA -0.270 3.882 4.120 0.055 0.000 0.247 389 V C 2.437 178.533 176.094 0.004 0.000 1.051 389 V CA 2.277 64.519 62.300 -0.097 0.000 1.036 389 V CB -0.640 31.026 31.823 -0.263 0.000 0.654 389 V HN 0.352 nan 8.190 nan 0.000 0.451 390 K N -0.532 119.846 120.400 -0.035 0.000 2.097 390 K HA -0.094 4.259 4.320 0.055 0.000 0.206 390 K C 1.063 177.710 176.600 0.077 0.000 1.049 390 K CA 0.882 57.171 56.287 0.003 0.000 0.933 390 K CB -0.236 32.252 32.500 -0.020 0.000 0.717 390 K HN 0.356 nan 8.250 nan 0.000 0.442 394 R N 1.172 121.726 120.500 0.091 0.000 2.103 394 R HA -0.060 4.313 4.340 0.055 0.000 0.242 394 R C 1.229 177.589 176.300 0.100 0.000 1.142 394 R CA 1.461 57.619 56.100 0.098 0.000 0.960 394 R CB -0.003 30.384 30.300 0.145 0.000 0.858 394 R HN 0.003 nan 8.270 nan 0.000 0.439 395 L N -0.258 121.038 121.223 0.121 0.000 2.552 395 L HA 0.141 4.514 4.340 0.055 0.000 0.227 395 L C 1.446 178.350 176.870 0.056 0.000 1.146 395 L CA 1.651 56.550 54.840 0.098 0.000 0.858 395 L CB -0.531 41.590 42.059 0.103 0.000 0.969 395 L HN 0.585 nan 8.230 nan 0.000 0.451 396 G N -0.033 108.796 108.800 0.049 0.000 2.143 396 G HA2 -0.351 3.642 3.960 0.055 0.000 0.249 396 G HA3 -0.351 3.642 3.960 0.055 0.000 0.249 396 G C 1.250 176.163 174.900 0.020 0.000 0.981 396 G CA 0.624 45.743 45.100 0.032 0.000 0.665 396 G HN 0.462 nan 8.290 nan 0.000 0.528 397 I N 0.327 120.908 120.570 0.019 0.000 2.439 397 I HA 0.290 4.493 4.170 0.055 0.000 0.251 397 I C 1.111 177.233 176.117 0.008 0.000 1.139 397 I CA 1.337 62.635 61.300 -0.003 0.000 1.438 397 I CB -0.053 37.919 38.000 -0.046 0.000 1.085 397 I HN 0.460 nan 8.210 nan 0.000 0.427 398 I N -1.679 118.908 120.570 0.027 0.000 2.769 398 I HA 0.504 4.707 4.170 0.055 0.000 0.298 398 I C -1.234 174.895 176.117 0.019 0.000 1.128 398 I CA -0.994 60.319 61.300 0.021 0.000 1.031 398 I CB 1.776 39.800 38.000 0.040 0.000 1.235 398 I HN -0.128 nan 8.210 nan 0.000 0.423 399 D N 2.311 122.714 120.400 0.006 0.000 2.294 399 D HA 0.166 4.839 4.640 0.055 0.000 0.250 399 D C 1.088 177.397 176.300 0.014 0.000 1.058 399 D CA -0.377 53.629 54.000 0.010 0.000 0.950 399 D CB 1.516 42.319 40.800 0.006 0.000 1.158 399 D HN 0.773 nan 8.370 nan 0.000 0.453 400 E N 0.215 120.423 120.200 0.013 0.000 2.333 400 E HA -0.181 4.202 4.350 0.055 0.000 0.198 400 E C 1.289 177.906 176.600 0.029 0.000 1.007 400 E CA 1.033 57.439 56.400 0.010 0.000 0.845 400 E CB -0.206 29.491 29.700 -0.004 0.000 0.766 400 E HN 0.330 nan 8.360 nan 0.000 0.507 401 S N 0.381 116.103 115.700 0.036 0.000 2.489 401 S HA -0.101 4.402 4.470 0.055 0.000 0.228 401 S C 1.848 176.514 174.600 0.110 0.000 0.995 401 S CA 0.491 58.731 58.200 0.066 0.000 0.934 401 S CB -0.073 63.165 63.200 0.063 0.000 0.771 401 S HN 0.296 nan 8.310 nan 0.000 0.522 402 Q N 0.640 120.465 119.800 0.043 0.000 2.435 402 Q HA 0.191 4.564 4.340 0.055 0.000 0.207 402 Q C -0.324 175.758 176.000 0.137 0.000 0.956 402 Q CA 0.274 56.069 55.803 -0.014 0.000 0.917 402 Q CB 0.131 28.798 28.738 -0.118 0.000 0.997 402 Q HN 0.407 nan 8.270 nan 0.000 0.497 403 V N 1.683 121.684 119.914 0.144 0.000 2.407 403 V HA 0.318 4.471 4.120 0.055 0.000 0.278 403 V C -0.172 176.043 176.094 0.202 0.000 1.037 403 V CA -0.148 62.273 62.300 0.201 0.000 0.900 403 V CB 1.181 33.060 31.823 0.093 0.000 0.983 403 V HN 0.131 nan 8.190 nan 0.000 0.459 404 I N 4.772 125.512 120.570 0.283 0.000 2.569 404 I HA 0.377 4.580 4.170 0.055 0.000 0.290 404 I C -1.008 175.301 176.117 0.320 0.000 1.088 404 I CA -0.516 60.916 61.300 0.219 0.000 1.047 404 I CB 2.332 40.402 38.000 0.117 0.000 1.237 404 I HN 0.472 nan 8.210 nan 0.000 0.421 405 F N 6.900 126.905 119.950 0.092 0.000 2.410 405 F HA 0.186 4.746 4.527 0.055 0.000 0.348 405 F C 1.253 177.081 175.800 0.046 0.000 1.106 405 F CA -0.734 57.336 58.000 0.116 0.000 1.163 405 F CB 0.850 39.874 39.000 0.040 0.000 1.129 405 F HN 0.629 nan 8.300 nan 0.000 0.516 406 W N 5.095 126.018 121.300 -0.627 0.000 2.304 406 W HA -0.284 4.409 4.660 0.055 0.000 0.315 406 W C 1.112 177.429 176.519 -0.336 0.000 1.233 406 W CA 1.838 58.889 57.345 -0.491 0.000 1.261 406 W CB -1.267 27.796 29.460 -0.662 0.000 1.150 406 W HN 0.589 nan 8.180 nan 0.000 0.494 407 D N 1.253 120.646 120.400 -1.679 0.000 2.352 407 D HA -0.107 4.566 4.640 0.055 0.000 0.232 407 D C 1.708 177.680 176.300 -0.548 0.000 1.055 407 D CA 1.197 54.400 54.000 -1.328 0.000 0.891 407 D CB -0.678 39.160 40.800 -1.605 0.000 0.897 407 D HN 0.250 nan 8.370 nan 0.000 0.529 408 S N -0.564 114.926 115.700 -0.351 0.000 2.562 408 S HA 0.083 4.586 4.470 0.055 0.000 0.221 408 S C 0.862 175.340 174.600 -0.204 0.000 0.975 408 S CA -0.442 57.647 58.200 -0.184 0.000 0.918 408 S CB -0.380 62.769 63.200 -0.085 0.000 0.772 408 S HN 0.230 nan 8.310 nan 0.000 0.531 409 L N 2.500 123.559 121.223 -0.272 0.000 2.265 409 L HA 0.386 4.759 4.340 0.055 0.000 0.288 409 L C 0.393 177.168 176.870 -0.158 0.000 1.058 409 L CA -0.707 53.915 54.840 -0.364 0.000 0.809 409 L CB 0.971 42.674 42.059 -0.594 0.000 1.179 409 L HN 0.063 nan 8.230 nan 0.000 0.429 410 K N 2.246 122.632 120.400 -0.022 0.000 2.285 410 K HA 0.069 4.422 4.320 0.055 0.000 0.255 410 K C -0.192 176.501 176.600 0.155 0.000 1.000 410 K CA -0.123 56.206 56.287 0.071 0.000 0.887 410 K CB 0.412 32.964 32.500 0.086 0.000 0.997 410 K HN 0.521 nan 8.250 nan 0.000 0.510 411 E N 1.414 121.666 120.200 0.086 0.000 2.229 411 E HA 0.139 4.522 4.350 0.055 0.000 0.283 411 E C -0.375 176.245 176.600 0.034 0.000 1.030 411 E CA -0.287 56.159 56.400 0.077 0.000 0.836 411 E CB 0.741 30.474 29.700 0.055 0.000 1.068 411 E HN 0.232 nan 8.360 nan 0.000 0.401 412 L N 1.921 123.142 121.223 -0.003 0.000 2.421 412 L HA 0.280 4.653 4.340 0.055 0.000 0.263 412 L C 1.501 178.337 176.870 -0.057 0.000 1.122 412 L CA -0.445 54.344 54.840 -0.085 0.000 0.804 412 L CB 0.605 42.553 42.059 -0.184 0.000 1.150 412 L HN 0.712 nan 8.230 nan 0.000 0.457 413 G N 0.269 109.032 108.800 -0.063 0.000 2.713 413 G HA2 0.206 4.199 3.960 0.055 0.000 0.170 413 G HA3 0.206 4.199 3.960 0.055 0.000 0.170 413 G C 0.830 175.707 174.900 -0.038 0.000 1.724 413 G CA 0.714 45.788 45.100 -0.043 0.000 0.892 413 G HN 0.843 nan 8.290 nan 0.000 0.376 414 G N -2.120 106.657 108.800 -0.039 0.000 2.293 414 G HA2 0.498 4.491 3.960 0.055 0.000 0.180 414 G HA3 0.498 4.491 3.960 0.055 0.000 0.180 414 G C 0.367 175.244 174.900 -0.038 0.000 1.517 414 G CA 1.008 46.086 45.100 -0.036 0.000 0.645 414 G HN 1.079 nan 8.290 nan 0.000 1.119 415 G N 0.000 108.776 108.800 -0.039 0.000 5.446 415 G HA2 0.000 3.993 3.960 0.055 0.000 0.244 415 G HA3 0.000 3.993 3.960 0.055 0.000 0.244 415 G CA 0.000 45.077 45.100 -0.039 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925