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 1j0y_1_C DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.582 177.584 -0.004 0.000 1.274 1 A CA 0.000 51.978 52.037 -0.098 0.000 0.836 1 A CB 0.000 18.945 19.000 -0.092 0.000 0.831 2 V N 2.472 122.332 119.914 -0.090 0.000 2.814 2 V HA 0.090 4.210 4.120 -0.000 0.000 0.307 2 V C 0.937 177.057 176.094 0.042 0.000 1.089 2 V CA 1.359 63.658 62.300 -0.000 0.000 1.212 2 V CB 0.003 31.755 31.823 -0.119 0.000 0.912 2 V HN 1.070 nan 8.190 nan 0.000 0.497 3 N N 2.626 121.375 118.700 0.081 0.000 2.782 3 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 3 N C 0.999 176.582 175.510 0.122 0.000 1.101 3 N CA 1.578 54.685 53.050 0.096 0.000 0.764 3 N CB -1.390 37.142 38.487 0.076 0.000 1.122 3 N HN 1.586 nan 8.380 nan 0.000 0.561 4 G N -0.989 107.900 108.800 0.149 0.000 2.148 4 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.254 4 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.254 4 G C 0.200 175.158 174.900 0.098 0.000 0.981 4 G CA 1.098 46.299 45.100 0.168 0.000 0.670 4 G HN 0.610 nan 8.290 nan 0.000 0.528 5 K N -0.153 120.291 120.400 0.074 0.000 2.179 5 K HA 0.672 4.992 4.320 -0.000 0.000 0.238 5 K C 1.078 177.691 176.600 0.021 0.000 1.033 5 K CA -0.313 56.003 56.287 0.048 0.000 0.926 5 K CB 0.781 33.301 32.500 0.033 0.000 1.151 5 K HN 0.303 nan 8.250 nan 0.000 0.492 6 G N -0.056 108.746 108.800 0.005 0.000 2.938 6 G HA2 0.447 4.406 3.960 -0.000 0.000 0.258 6 G HA3 0.447 4.406 3.960 -0.000 0.000 0.258 6 G C -0.326 174.558 174.900 -0.027 0.000 1.356 6 G CA -1.126 43.958 45.100 -0.027 0.000 1.052 6 G HN 0.669 nan 8.290 nan 0.000 0.550 7 M N -0.073 119.496 119.600 -0.052 0.000 2.232 7 M HA 0.272 4.752 4.480 -0.000 0.000 0.321 7 M C 0.177 176.494 176.300 0.029 0.000 1.101 7 M CA -0.491 54.803 55.300 -0.010 0.000 1.181 7 M CB 0.376 32.915 32.600 -0.102 0.000 1.432 7 M HN 0.392 nan 8.290 nan 0.000 0.457 8 N N 2.939 121.698 118.700 0.097 0.000 2.452 8 N HA 0.119 4.858 4.740 -0.000 0.000 0.266 8 N C -1.771 173.801 175.510 0.104 0.000 1.209 8 N CA -1.373 51.743 53.050 0.110 0.000 0.929 8 N CB 0.829 39.418 38.487 0.170 0.000 1.063 8 N HN 0.516 nan 8.380 nan 0.000 0.472 9 P HA -0.074 nan 4.420 nan 0.000 0.225 9 P C -0.140 177.181 177.300 0.034 0.000 1.148 9 P CA 1.091 64.208 63.100 0.029 0.000 0.779 9 P CB 0.465 32.169 31.700 0.007 0.000 0.780 10 D N -1.789 118.643 120.400 0.054 0.000 2.340 10 D HA 0.002 4.642 4.640 -0.000 0.000 0.217 10 D C 0.548 176.864 176.300 0.026 0.000 1.081 10 D CA -0.419 53.592 54.000 0.018 0.000 0.842 10 D CB -0.608 40.201 40.800 0.015 0.000 0.934 10 D HN 0.219 nan 8.370 nan 0.000 0.511 11 Y N 2.533 122.831 120.300 -0.003 0.000 2.811 11 Y HA -0.007 4.543 4.550 -0.001 0.000 0.334 11 Y C -0.018 175.834 175.900 -0.080 0.000 1.247 11 Y CA 0.336 58.448 58.100 0.020 0.000 1.526 11 Y CB 0.302 38.833 38.460 0.118 0.000 1.284 11 Y HN -0.299 nan 8.280 nan 0.000 0.586 12 K N 4.334 124.056 120.400 -1.130 0.000 2.527 12 K HA 0.751 5.071 4.320 -0.000 0.000 0.260 12 K C -1.533 174.260 176.600 -1.345 0.000 0.937 12 K CA -1.002 54.635 56.287 -1.084 0.000 0.826 12 K CB 1.951 33.975 32.500 -0.793 0.000 1.359 12 K HN 0.654 nan 8.250 nan 0.000 0.434 13 A N 2.022 124.327 122.820 -0.857 0.000 2.312 13 A HA 0.720 5.040 4.320 -0.000 0.000 0.326 13 A C -1.425 176.003 177.584 -0.260 0.000 1.172 13 A CA -0.367 51.420 52.037 -0.416 0.000 0.821 13 A CB 0.250 19.219 19.000 -0.052 0.000 1.166 13 A HN 0.629 nan 8.150 nan 0.000 0.493 14 Y N 0.531 121.029 120.300 0.330 0.000 2.536 14 Y HA 0.608 5.158 4.550 -0.001 0.000 0.347 14 Y C -0.391 175.651 175.900 0.238 0.000 1.000 14 Y CA -1.053 57.225 58.100 0.298 0.000 1.051 14 Y CB 2.063 40.609 38.460 0.143 0.000 1.259 14 Y HN 0.598 nan 8.280 nan 0.000 0.468 15 L N 3.017 124.321 121.223 0.135 0.000 2.329 15 L HA 0.552 4.892 4.340 -0.000 0.000 0.279 15 L C -0.929 175.903 176.870 -0.063 0.000 1.014 15 L CA -0.892 53.793 54.840 -0.259 0.000 0.814 15 L CB 1.473 42.976 42.059 -0.926 0.000 1.257 15 L HN 0.672 nan 8.230 nan 0.000 0.424 16 M N 4.329 123.897 119.600 -0.052 0.000 2.162 16 M HA 0.432 4.912 4.480 -0.000 0.000 0.356 16 M C 0.409 176.743 176.300 0.057 0.000 1.303 16 M CA -0.269 55.026 55.300 -0.009 0.000 1.116 16 M CB 1.195 33.780 32.600 -0.025 0.000 1.632 16 M HN 0.849 nan 8.290 nan 0.000 0.469 17 A N 6.111 128.961 122.820 0.051 0.000 2.327 17 A HA 0.560 4.879 4.320 -0.000 0.000 0.255 17 A C -2.463 175.097 177.584 -0.042 0.000 1.099 17 A CA -1.233 50.828 52.037 0.040 0.000 0.801 17 A CB -0.458 18.582 19.000 0.066 0.000 1.062 17 A HN 0.465 nan 8.150 nan 0.000 0.496 18 P HA 0.055 nan 4.420 nan 0.000 0.270 18 P C 0.605 177.896 177.300 -0.015 0.000 1.227 18 P CA -0.344 62.702 63.100 -0.090 0.000 0.788 18 P CB 0.342 31.929 31.700 -0.188 0.000 0.926 19 L N 0.429 121.674 121.223 0.038 0.000 2.179 19 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 19 L C 0.954 177.897 176.870 0.121 0.000 1.096 19 L CA 1.674 56.592 54.840 0.130 0.000 0.779 19 L CB -0.893 41.226 42.059 0.100 0.000 0.922 19 L HN 0.296 nan 8.230 nan 0.000 0.443 20 K N 0.141 120.549 120.400 0.013 0.000 2.087 20 K HA 0.203 4.522 4.320 -0.000 0.000 0.255 20 K C 0.123 176.682 176.600 -0.068 0.000 0.988 20 K CA -0.701 55.564 56.287 -0.038 0.000 0.915 20 K CB 0.998 33.457 32.500 -0.068 0.000 1.043 20 K HN -0.063 nan 8.250 nan 0.000 0.457 21 K N 1.724 122.044 120.400 -0.134 0.000 2.469 21 K HA -0.031 4.289 4.320 -0.000 0.000 0.274 21 K C 1.373 177.864 176.600 -0.182 0.000 0.983 21 K CA -0.324 55.838 56.287 -0.209 0.000 0.974 21 K CB 0.305 32.547 32.500 -0.429 0.000 0.913 21 K HN 0.408 nan 8.250 nan 0.000 0.493 22 I N 3.454 123.906 120.570 -0.196 0.000 2.194 22 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 22 I C -0.839 174.937 176.117 -0.569 0.000 1.093 22 I CA 1.525 62.486 61.300 -0.565 0.000 1.355 22 I CB -1.974 35.298 38.000 -1.215 0.000 1.046 22 I HN 0.543 nan 8.210 nan 0.000 0.413 23 P HA -0.108 nan 4.420 nan 0.000 0.228 23 P C 1.338 178.519 177.300 -0.199 0.000 1.151 23 P CA 1.162 64.037 63.100 -0.375 0.000 0.770 23 P CB 0.001 31.585 31.700 -0.193 0.000 0.786 24 E N -1.247 118.848 120.200 -0.176 0.000 2.250 24 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 24 E C 1.571 178.109 176.600 -0.103 0.000 0.986 24 E CA 0.543 56.873 56.400 -0.117 0.000 0.849 24 E CB -0.064 29.573 29.700 -0.106 0.000 0.797 24 E HN 0.082 nan 8.360 nan 0.000 0.482 25 V N 0.039 119.876 119.914 -0.129 0.000 2.825 25 V HA 0.011 4.131 4.120 -0.000 0.000 0.246 25 V C 1.194 177.257 176.094 -0.052 0.000 1.068 25 V CA 1.375 63.627 62.300 -0.080 0.000 1.088 25 V CB 0.889 32.655 31.823 -0.095 0.000 0.733 25 V HN 0.215 nan 8.190 nan 0.000 0.468 26 T N -0.554 113.936 114.554 -0.106 0.000 2.633 26 T HA 0.322 4.672 4.350 -0.000 0.000 0.253 26 T C -1.745 172.876 174.700 -0.132 0.000 1.202 26 T CA 0.132 62.198 62.100 -0.056 0.000 1.164 26 T CB 0.749 69.656 68.868 0.065 0.000 1.864 26 T HN 0.504 nan 8.240 nan 0.000 0.433 27 N N -1.077 117.568 118.700 -0.091 0.000 2.416 27 N HA 0.412 5.152 4.740 -0.000 0.000 0.276 27 N C 0.041 175.535 175.510 -0.027 0.000 1.261 27 N CA -0.878 52.097 53.050 -0.126 0.000 0.790 27 N CB 0.379 38.867 38.487 0.002 0.000 1.554 27 N HN 0.713 nan 8.380 nan 0.000 0.481 28 W N -0.101 121.265 121.300 0.111 0.000 2.350 28 W HA -0.076 4.584 4.660 -0.000 0.000 0.289 28 W C 1.471 178.103 176.519 0.187 0.000 1.215 28 W CA 0.685 58.129 57.345 0.166 0.000 1.236 28 W CB -0.047 29.473 29.460 0.100 0.000 1.130 28 W HN 0.636 nan 8.180 nan 0.000 0.541 29 E N -0.214 120.183 120.200 0.329 0.000 2.031 29 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 29 E C 2.122 178.829 176.600 0.178 0.000 0.994 29 E CA 2.302 58.827 56.400 0.209 0.000 0.800 29 E CB -1.100 28.688 29.700 0.146 0.000 0.752 29 E HN 0.057 nan 8.360 nan 0.000 0.447 30 T N 1.003 115.661 114.554 0.175 0.000 2.708 30 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 30 T C 1.598 176.432 174.700 0.223 0.000 1.037 30 T CA 1.219 63.418 62.100 0.164 0.000 1.146 30 T CB -0.566 68.393 68.868 0.151 0.000 0.865 30 T HN 0.172 nan 8.240 nan 0.000 0.435 31 F N 2.250 122.273 119.950 0.121 0.000 2.115 31 F HA -0.189 4.337 4.527 -0.000 0.000 0.300 31 F C 2.168 178.050 175.800 0.136 0.000 1.092 31 F CA 1.583 59.668 58.000 0.141 0.000 1.245 31 F CB -0.484 38.552 39.000 0.060 0.000 0.995 31 F HN 0.205 nan 8.300 nan 0.000 0.481 32 E N -0.118 120.060 120.200 -0.038 0.000 2.077 32 E HA -0.230 4.119 4.350 -0.000 0.000 0.193 32 E C 1.980 178.517 176.600 -0.105 0.000 0.989 32 E CA 1.279 57.577 56.400 -0.171 0.000 0.800 32 E CB -0.244 29.454 29.700 -0.004 0.000 0.746 32 E HN 0.445 nan 8.360 nan 0.000 0.452 33 N N 0.944 119.644 118.700 -0.000 0.000 2.244 33 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 33 N C 1.198 176.746 175.510 0.064 0.000 1.016 33 N CA 0.937 54.006 53.050 0.031 0.000 0.866 33 N CB -0.147 38.365 38.487 0.042 0.000 0.980 33 N HN 0.157 nan 8.380 nan 0.000 0.430 34 D N 0.900 121.338 120.400 0.063 0.000 2.144 34 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 34 D C 2.140 178.452 176.300 0.020 0.000 0.984 34 D CA 0.448 54.508 54.000 0.100 0.000 0.834 34 D CB -0.184 40.704 40.800 0.147 0.000 0.955 34 D HN 0.250 nan 8.370 nan 0.000 0.465 35 L N 0.239 121.386 121.223 -0.127 0.000 2.093 35 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 35 L C 2.537 179.375 176.870 -0.053 0.000 1.085 35 L CA 0.911 55.649 54.840 -0.169 0.000 0.755 35 L CB -0.202 41.641 42.059 -0.360 0.000 0.904 35 L HN -0.071 nan 8.230 nan 0.000 0.435 36 R N -0.753 119.745 120.500 -0.003 0.000 2.092 36 R HA -0.207 4.132 4.340 -0.000 0.000 0.231 36 R C 2.178 178.569 176.300 0.153 0.000 1.119 36 R CA 1.704 57.838 56.100 0.057 0.000 0.970 36 R CB -0.424 29.913 30.300 0.062 0.000 0.864 36 R HN 0.553 nan 8.270 nan 0.000 0.440 37 W N 1.256 122.537 121.300 -0.031 0.000 2.388 37 W HA -0.140 4.520 4.660 -0.001 0.000 0.294 37 W C 1.809 178.343 176.519 0.025 0.000 1.212 37 W CA 1.099 58.440 57.345 -0.007 0.000 1.271 37 W CB -0.021 29.425 29.460 -0.022 0.000 1.126 37 W HN 0.127 nan 8.180 nan 0.000 0.535 38 A N 0.966 123.742 122.820 -0.075 0.000 1.898 38 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 38 A C 1.986 179.609 177.584 0.065 0.000 1.181 38 A CA 1.948 53.931 52.037 -0.090 0.000 0.620 38 A CB -0.995 17.899 19.000 -0.177 0.000 0.819 38 A HN 0.348 nan 8.150 nan 0.000 0.442 39 K N -0.394 120.027 120.400 0.036 0.000 2.152 39 K HA -0.199 4.120 4.320 -0.000 0.000 0.206 39 K C 2.118 178.721 176.600 0.005 0.000 1.048 39 K CA 1.659 57.974 56.287 0.047 0.000 0.933 39 K CB -0.175 32.340 32.500 0.026 0.000 0.721 39 K HN 0.639 nan 8.250 nan 0.000 0.447 40 Q N -0.174 119.604 119.800 -0.037 0.000 2.224 40 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 40 Q C 0.801 176.693 176.000 -0.180 0.000 0.970 40 Q CA 0.765 56.525 55.803 -0.071 0.000 0.865 40 Q CB 0.152 28.894 28.738 0.005 0.000 0.922 40 Q HN 0.319 nan 8.270 nan 0.000 0.445 41 N N -0.794 117.748 118.700 -0.263 0.000 2.276 41 N HA 0.070 4.810 4.740 -0.000 0.000 0.212 41 N C 0.468 175.864 175.510 -0.190 0.000 1.127 41 N CA 0.783 53.677 53.050 -0.260 0.000 0.834 41 N CB 1.415 39.681 38.487 -0.368 0.000 1.014 41 N HN 0.368 nan 8.380 nan 0.000 0.491 42 G N 0.510 109.228 108.800 -0.137 0.000 2.194 42 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 42 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 42 G C -0.073 174.740 174.900 -0.145 0.000 0.987 42 G CA -0.504 44.506 45.100 -0.150 0.000 0.635 42 G HN 0.235 nan 8.290 nan 0.000 0.520 43 F N 0.190 120.164 119.950 0.040 0.000 2.495 43 F HA 0.535 5.062 4.527 -0.000 0.000 0.365 43 F C 1.323 177.167 175.800 0.073 0.000 1.090 43 F CA -0.064 57.961 58.000 0.042 0.000 1.235 43 F CB 0.695 39.677 39.000 -0.030 0.000 1.119 43 F HN 0.097 nan 8.300 nan 0.000 0.562 44 Y N 2.382 122.765 120.300 0.139 0.000 2.479 44 Y HA 0.554 5.103 4.550 -0.001 0.000 0.283 44 Y C 0.567 176.592 175.900 0.209 0.000 1.109 44 Y CA 0.600 58.763 58.100 0.105 0.000 1.239 44 Y CB 0.255 38.712 38.460 -0.005 0.000 1.108 44 Y HN 0.504 nan 8.280 nan 0.000 0.548 45 A N -0.007 123.024 122.820 0.350 0.000 2.609 45 A HA 0.537 4.857 4.320 -0.000 0.000 0.291 45 A C -1.997 175.737 177.584 0.251 0.000 1.096 45 A CA -0.659 51.516 52.037 0.229 0.000 0.684 45 A CB 0.632 19.790 19.000 0.263 0.000 1.282 45 A HN 0.176 nan 8.150 nan 0.000 0.412 46 I N 1.798 122.460 120.570 0.154 0.000 2.362 46 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 46 I C 0.398 176.575 176.117 0.100 0.000 0.994 46 I CA -0.157 61.233 61.300 0.150 0.000 1.158 46 I CB 1.661 39.806 38.000 0.241 0.000 1.315 46 I HN 0.859 nan 8.210 nan 0.000 0.451 47 T N 4.560 119.135 114.554 0.035 0.000 2.909 47 T HA 0.585 4.934 4.350 -0.000 0.000 0.289 47 T C -0.599 174.009 174.700 -0.153 0.000 1.005 47 T CA -0.575 61.489 62.100 -0.061 0.000 1.084 47 T CB 1.705 70.551 68.868 -0.037 0.000 0.975 47 T HN 0.464 nan 8.240 nan 0.000 0.509 48 V N 2.019 121.720 119.914 -0.355 0.000 2.851 48 V HA 0.360 4.480 4.120 -0.000 0.000 0.307 48 V C -1.503 174.068 176.094 -0.873 0.000 1.129 48 V CA -0.924 60.998 62.300 -0.631 0.000 0.932 48 V CB 2.166 33.370 31.823 -1.032 0.000 1.024 48 V HN 1.082 nan 8.190 nan 0.000 0.426 49 D N 5.905 125.823 120.400 -0.804 0.000 2.317 49 D HA 0.292 4.932 4.640 -0.000 0.000 0.252 49 D C -0.905 174.696 176.300 -1.166 0.000 1.174 49 D CA 0.573 53.959 54.000 -1.023 0.000 0.866 49 D CB 1.069 41.117 40.800 -1.254 0.000 1.127 49 D HN 0.463 nan 8.370 nan 0.000 0.467 50 F N 1.956 121.484 119.950 -0.703 0.000 2.347 50 F HA 0.243 4.769 4.527 -0.000 0.000 0.366 50 F C 0.024 175.555 175.800 -0.448 0.000 1.107 50 F CA -1.247 56.510 58.000 -0.405 0.000 1.058 50 F CB 0.751 39.635 39.000 -0.193 0.000 1.236 50 F HN 0.234 nan 8.300 nan 0.000 0.456 51 W N 3.895 125.282 121.300 0.145 0.000 2.253 51 W HA 0.005 4.665 4.660 -0.000 0.000 0.322 51 W C 0.929 177.567 176.519 0.198 0.000 1.342 51 W CA -0.571 56.820 57.345 0.077 0.000 1.218 51 W CB 0.379 29.840 29.460 0.000 0.000 1.205 51 W HN 0.642 nan 8.180 nan 0.000 0.551 52 W N 2.794 124.207 121.300 0.188 0.000 2.342 52 W HA -0.132 4.528 4.660 -0.000 0.000 0.297 52 W C 1.883 178.485 176.519 0.139 0.000 1.213 52 W CA 1.996 59.419 57.345 0.131 0.000 1.251 52 W CB -0.984 28.506 29.460 0.049 0.000 1.136 52 W HN 0.488 nan 8.180 nan 0.000 0.526 53 G N -0.206 108.728 108.800 0.224 0.000 2.462 53 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.220 53 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.220 53 G C 1.245 176.203 174.900 0.096 0.000 1.121 53 G CA 1.343 46.463 45.100 0.034 0.000 0.758 53 G HN 0.222 nan 8.290 nan 0.000 0.559 54 D N 0.055 120.579 120.400 0.207 0.000 2.259 54 D HA 0.063 4.702 4.640 -0.000 0.000 0.216 54 D C 2.692 179.095 176.300 0.170 0.000 0.961 54 D CA 0.401 54.505 54.000 0.174 0.000 0.878 54 D CB -0.161 40.773 40.800 0.223 0.000 1.009 54 D HN 0.276 nan 8.370 nan 0.000 0.490 55 M N -0.057 119.688 119.600 0.241 0.000 2.296 55 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 55 M C 0.907 177.340 176.300 0.221 0.000 1.064 55 M CA 1.098 56.504 55.300 0.176 0.000 1.109 55 M CB 0.231 32.992 32.600 0.268 0.000 1.396 55 M HN -0.135 nan 8.290 nan 0.000 0.430 56 E N 0.305 120.696 120.200 0.320 0.000 4.170 56 E HA 0.055 4.405 4.350 -0.000 0.000 0.199 56 E C 0.739 177.514 176.600 0.291 0.000 1.080 56 E CA -0.084 56.488 56.400 0.287 0.000 1.446 56 E CB 0.548 30.587 29.700 0.565 0.000 1.170 56 E HN 0.193 nan 8.360 nan 0.000 0.429 57 K N 0.457 120.957 120.400 0.166 0.000 2.025 57 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 57 K C 1.056 177.778 176.600 0.204 0.000 1.049 57 K CA 1.830 58.201 56.287 0.141 0.000 0.933 57 K CB 0.099 32.639 32.500 0.068 0.000 0.714 57 K HN 0.183 nan 8.250 nan 0.000 0.438 58 N N -0.646 118.102 118.700 0.079 0.000 2.396 58 N HA 0.030 4.769 4.740 -0.000 0.000 0.180 58 N C 0.296 175.704 175.510 -0.171 0.000 1.028 58 N CA 0.599 53.645 53.050 -0.006 0.000 0.893 58 N CB 0.610 39.068 38.487 -0.048 0.000 0.967 58 N HN 0.330 nan 8.380 nan 0.000 0.440 59 G N -0.388 108.118 108.800 -0.489 0.000 2.316 59 G HA2 0.016 3.975 3.960 -0.000 0.000 0.296 59 G HA3 0.016 3.975 3.960 -0.000 0.000 0.296 59 G C -2.089 171.893 174.900 -1.531 0.000 1.399 59 G CA -0.931 43.468 45.100 -1.169 0.000 0.833 59 G HN -0.044 nan 8.290 nan 0.000 0.565 60 D N 0.678 120.043 120.400 -1.726 0.000 2.434 60 D HA 0.378 5.017 4.640 -0.000 0.000 0.252 60 D C 0.979 176.874 176.300 -0.676 0.000 1.185 60 D CA 0.993 54.232 54.000 -1.267 0.000 0.886 60 D CB 0.491 40.807 40.800 -0.806 0.000 1.148 60 D HN 0.470 nan 8.370 nan 0.000 0.483 61 Q N 1.500 120.906 119.800 -0.657 0.000 2.424 61 Q HA -0.245 4.095 4.340 -0.000 0.000 0.234 61 Q C -0.573 175.014 176.000 -0.689 0.000 0.748 61 Q CA 0.831 56.210 55.803 -0.706 0.000 1.286 61 Q CB -1.862 26.733 28.738 -0.239 0.000 1.494 61 Q HN 0.767 nan 8.270 nan 0.000 0.683 62 Q N 0.273 119.688 119.800 -0.642 0.000 2.810 62 Q HA 0.407 4.747 4.340 -0.000 0.000 0.236 62 Q C -0.223 175.577 176.000 -0.334 0.000 1.278 62 Q CA -0.143 55.440 55.803 -0.367 0.000 1.065 62 Q CB -0.034 28.533 28.738 -0.285 0.000 1.364 62 Q HN 0.151 nan 8.270 nan 0.000 0.570 63 F N 0.841 120.760 119.950 -0.052 0.000 2.406 63 F HA 0.184 4.710 4.527 -0.000 0.000 0.327 63 F C 0.773 176.405 175.800 -0.280 0.000 1.153 63 F CA -0.304 57.571 58.000 -0.210 0.000 1.218 63 F CB 0.818 39.693 39.000 -0.209 0.000 1.215 63 F HN 0.248 nan 8.300 nan 0.000 0.570 64 D N 1.366 121.596 120.400 -0.284 0.000 2.319 64 D HA 0.203 4.843 4.640 -0.000 0.000 0.237 64 D C -0.777 175.347 176.300 -0.292 0.000 1.353 64 D CA -0.337 53.557 54.000 -0.176 0.000 0.992 64 D CB 0.034 40.817 40.800 -0.029 0.000 1.368 64 D HN 0.316 nan 8.370 nan 0.000 0.564 65 F N 1.260 121.295 119.950 0.141 0.000 2.639 65 F HA 0.089 4.616 4.527 -0.000 0.000 0.302 65 F C 2.400 178.202 175.800 0.003 0.000 1.097 65 F CA -0.097 57.934 58.000 0.051 0.000 1.294 65 F CB 0.428 39.409 39.000 -0.031 0.000 1.027 65 F HN 0.282 nan 8.300 nan 0.000 0.550 66 S N -0.057 115.745 115.700 0.169 0.000 2.374 66 S HA -0.347 4.122 4.470 -0.000 0.000 0.227 66 S C 1.986 176.652 174.600 0.110 0.000 1.037 66 S CA 1.443 59.717 58.200 0.123 0.000 1.024 66 S CB -1.065 62.209 63.200 0.123 0.000 0.861 66 S HN 0.535 nan 8.310 nan 0.000 0.456 67 Y N 2.765 123.124 120.300 0.098 0.000 2.200 67 Y HA 0.094 4.644 4.550 -0.000 0.000 0.290 67 Y C 2.638 178.615 175.900 0.128 0.000 1.137 67 Y CA 0.776 58.980 58.100 0.173 0.000 1.163 67 Y CB -0.984 37.623 38.460 0.246 0.000 0.988 67 Y HN 0.338 nan 8.280 nan 0.000 0.518 68 A N 0.056 122.762 122.820 -0.190 0.000 1.933 68 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 68 A C 2.104 179.407 177.584 -0.469 0.000 1.175 68 A CA 1.885 53.518 52.037 -0.674 0.000 0.628 68 A CB -0.636 17.823 19.000 -0.901 0.000 0.814 68 A HN 0.661 nan 8.150 nan 0.000 0.444 69 Q N -1.357 118.228 119.800 -0.358 0.000 2.083 69 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 69 Q C 2.347 178.050 176.000 -0.497 0.000 0.969 69 Q CA 1.399 56.908 55.803 -0.491 0.000 0.838 69 Q CB -0.142 28.492 28.738 -0.173 0.000 0.900 69 Q HN 0.526 nan 8.270 nan 0.000 0.436 70 R N 0.674 120.956 120.500 -0.363 0.000 2.092 70 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 70 R C 1.710 177.601 176.300 -0.682 0.000 1.119 70 R CA 1.323 57.118 56.100 -0.508 0.000 0.970 70 R CB -0.720 29.292 30.300 -0.481 0.000 0.864 70 R HN 0.276 nan 8.270 nan 0.000 0.440 71 F N 0.380 119.940 119.950 -0.650 0.000 2.102 71 F HA -0.086 4.440 4.527 -0.001 0.000 0.298 71 F C 2.025 177.721 175.800 -0.174 0.000 1.105 71 F CA 1.699 59.500 58.000 -0.332 0.000 1.239 71 F CB -0.444 38.458 39.000 -0.163 0.000 0.991 71 F HN 0.151 nan 8.300 nan 0.000 0.474 72 A N -0.299 122.510 122.820 -0.018 0.000 1.940 72 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 72 A C 2.019 179.484 177.584 -0.198 0.000 1.176 72 A CA 1.847 53.795 52.037 -0.148 0.000 0.631 72 A CB -0.934 17.703 19.000 -0.605 0.000 0.814 72 A HN 0.537 nan 8.150 nan 0.000 0.446 73 Q N 0.175 119.791 119.800 -0.307 0.000 2.050 73 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 73 Q C 2.238 178.175 176.000 -0.104 0.000 0.980 73 Q CA 2.293 58.016 55.803 -0.133 0.000 0.840 73 Q CB -0.565 28.079 28.738 -0.157 0.000 0.898 73 Q HN 0.527 nan 8.270 nan 0.000 0.424 74 S N -0.974 114.629 115.700 -0.161 0.000 2.399 74 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 74 S C 1.838 176.402 174.600 -0.059 0.000 1.022 74 S CA 0.994 59.168 58.200 -0.042 0.000 0.983 74 S CB -0.218 63.093 63.200 0.185 0.000 0.803 74 S HN 0.247 nan 8.310 nan 0.000 0.480 75 V N 1.845 121.725 119.914 -0.057 0.000 2.307 75 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 75 V C 2.399 178.473 176.094 -0.033 0.000 1.045 75 V CA 1.765 64.032 62.300 -0.055 0.000 1.024 75 V CB -0.456 31.406 31.823 0.064 0.000 0.651 75 V HN 0.447 nan 8.190 nan 0.000 0.449 76 K N 0.198 120.599 120.400 0.003 0.000 2.057 76 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 76 K C 1.927 178.525 176.600 -0.004 0.000 1.049 76 K CA 1.815 58.114 56.287 0.019 0.000 0.931 76 K CB -0.180 32.361 32.500 0.069 0.000 0.714 76 K HN 0.417 nan 8.250 nan 0.000 0.440 77 N N 0.624 119.315 118.700 -0.015 0.000 2.289 77 N HA -0.123 4.616 4.740 -0.000 0.000 0.184 77 N C 1.298 176.792 175.510 -0.028 0.000 1.016 77 N CA 1.284 54.324 53.050 -0.016 0.000 0.872 77 N CB -0.185 38.293 38.487 -0.015 0.000 0.973 77 N HN 0.308 nan 8.380 nan 0.000 0.433 78 A N -0.363 122.423 122.820 -0.057 0.000 2.218 78 A HA 0.422 4.742 4.320 -0.000 0.000 0.209 78 A C 1.385 178.940 177.584 -0.048 0.000 1.168 78 A CA 0.654 52.649 52.037 -0.070 0.000 0.804 78 A CB -0.323 18.590 19.000 -0.146 0.000 0.834 78 A HN 0.272 nan 8.150 nan 0.000 0.482 79 G N -1.298 107.479 108.800 -0.037 0.000 2.160 79 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 79 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 79 G C 0.077 174.947 174.900 -0.050 0.000 1.022 79 G CA 0.671 45.754 45.100 -0.030 0.000 0.741 79 G HN 0.263 nan 8.290 nan 0.000 0.508 80 M N -1.146 118.416 119.600 -0.064 0.000 2.792 80 M HA 0.619 5.099 4.480 -0.000 0.000 0.294 80 M C 0.551 176.794 176.300 -0.094 0.000 1.215 80 M CA -0.512 54.735 55.300 -0.089 0.000 0.883 80 M CB 1.406 33.958 32.600 -0.080 0.000 1.620 80 M HN -0.001 nan 8.290 nan 0.000 0.511 81 K N 1.243 121.556 120.400 -0.146 0.000 2.306 81 K HA 0.798 5.118 4.320 -0.000 0.000 0.236 81 K C -0.796 175.796 176.600 -0.013 0.000 1.013 81 K CA -0.550 55.662 56.287 -0.125 0.000 0.857 81 K CB 2.386 34.692 32.500 -0.323 0.000 1.214 81 K HN 0.820 nan 8.250 nan 0.000 0.449 82 M N -0.736 118.880 119.600 0.028 0.000 2.520 82 M HA 0.553 5.033 4.480 -0.000 0.000 0.283 82 M C -1.392 174.905 176.300 -0.005 0.000 1.237 82 M CA -0.779 54.568 55.300 0.079 0.000 0.885 82 M CB 1.857 34.584 32.600 0.212 0.000 1.727 82 M HN 0.377 nan 8.290 nan 0.000 0.468 83 I N 3.526 124.064 120.570 -0.053 0.000 2.495 83 I HA 0.417 4.586 4.170 -0.000 0.000 0.277 83 I C -2.356 173.676 176.117 -0.141 0.000 1.045 83 I CA -1.780 59.433 61.300 -0.144 0.000 1.135 83 I CB 1.866 39.723 38.000 -0.238 0.000 1.241 83 I HN 0.470 nan 8.210 nan 0.000 0.469 84 P HA 0.270 nan 4.420 nan 0.000 0.275 84 P C -0.640 176.525 177.300 -0.225 0.000 1.228 84 P CA -0.012 63.004 63.100 -0.142 0.000 0.786 84 P CB 1.499 33.304 31.700 0.175 0.000 0.927 85 I N 3.586 123.962 120.570 -0.323 0.000 2.382 85 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 85 I C 0.695 176.588 176.117 -0.374 0.000 1.002 85 I CA -0.871 60.258 61.300 -0.284 0.000 1.135 85 I CB 1.267 39.082 38.000 -0.309 0.000 1.288 85 I HN 0.139 nan 8.210 nan 0.000 0.448 86 I N 5.630 125.976 120.570 -0.374 0.000 2.278 86 I HA 0.038 4.208 4.170 -0.000 0.000 0.300 86 I C 0.390 176.358 176.117 -0.248 0.000 1.174 86 I CA 0.242 61.307 61.300 -0.392 0.000 1.347 86 I CB -0.177 37.548 38.000 -0.457 0.000 1.473 86 I HN 0.534 nan 8.210 nan 0.000 0.595 87 S N 3.380 118.895 115.700 -0.307 0.000 3.065 87 S HA 0.024 4.494 4.470 -0.000 0.000 0.311 87 S C 1.417 176.004 174.600 -0.022 0.000 1.204 87 S CA -0.408 57.620 58.200 -0.286 0.000 1.040 87 S CB -0.278 62.338 63.200 -0.974 0.000 1.436 87 S HN 0.725 nan 8.310 nan 0.000 0.532 88 T N -0.379 114.226 114.554 0.084 0.000 3.317 88 T HA 0.024 4.373 4.350 -0.000 0.000 0.250 88 T C 0.578 175.554 174.700 0.460 0.000 1.106 88 T CA -0.224 62.001 62.100 0.210 0.000 0.986 88 T CB -0.510 68.169 68.868 -0.316 0.000 1.010 88 T HN 0.754 nan 8.240 nan 0.000 0.560 89 H N -0.691 118.599 119.070 0.366 0.000 2.676 89 H HA 0.510 5.066 4.556 -0.001 0.000 0.352 89 H C -0.595 174.959 175.328 0.376 0.000 1.193 89 H CA -1.140 55.118 56.048 0.351 0.000 1.243 89 H CB 1.147 31.078 29.762 0.282 0.000 1.751 89 H HN 0.202 nan 8.280 nan 0.000 0.567 90 Q N 0.697 120.665 119.800 0.279 0.000 2.314 90 Q HA 0.260 4.600 4.340 -0.000 0.000 0.258 90 Q C -0.964 174.970 176.000 -0.111 0.000 0.954 90 Q CA -0.537 55.292 55.803 0.043 0.000 0.890 90 Q CB 0.766 29.543 28.738 0.064 0.000 1.210 90 Q HN 0.586 nan 8.270 nan 0.000 0.410 91 c N 4.092 122.351 118.600 -0.568 0.000 2.285 91 c HA 0.859 5.428 4.570 -0.000 0.000 0.335 91 c C 0.093 173.950 174.090 -0.388 0.000 1.267 91 c CA 1.012 56.877 56.329 -0.772 0.000 1.762 91 c CB -0.869 40.629 42.510 -1.688 0.000 2.365 91 c HN 0.976 nan 8.230 nan 0.000 0.527 92 G N 3.861 112.542 108.800 -0.199 0.000 3.014 92 G HA2 0.478 4.438 3.960 -0.000 0.000 0.683 92 G HA3 0.478 4.438 3.960 -0.000 0.000 0.683 92 G C 0.352 175.214 174.900 -0.064 0.000 1.271 92 G CA 0.226 45.249 45.100 -0.128 0.000 0.843 92 G HN 2.272 nan 8.290 nan 0.000 0.612 93 G N 1.258 110.034 108.800 -0.040 0.000 2.339 93 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.209 93 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.209 93 G C 0.309 175.209 174.900 0.000 0.000 1.015 93 G CA 0.538 45.626 45.100 -0.020 0.000 0.635 93 G HN 1.199 nan 8.290 nan 0.000 0.499 94 N N 0.467 119.175 118.700 0.014 0.000 2.476 94 N HA 0.452 5.192 4.740 -0.000 0.000 0.275 94 N C 0.495 176.026 175.510 0.035 0.000 1.190 94 N CA -0.183 52.889 53.050 0.036 0.000 0.977 94 N CB 1.790 40.310 38.487 0.056 0.000 1.200 94 N HN 0.098 nan 8.380 nan 0.000 0.515 95 V N 1.164 121.106 119.914 0.047 0.000 2.506 95 V HA 0.076 4.195 4.120 -0.000 0.000 0.296 95 V C 1.486 177.595 176.094 0.025 0.000 1.004 95 V CA 1.373 63.689 62.300 0.026 0.000 1.150 95 V CB -0.285 31.548 31.823 0.016 0.000 0.911 95 V HN 1.080 nan 8.190 nan 0.000 0.476 96 G N 4.115 112.922 108.800 0.013 0.000 2.175 96 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 96 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 96 G C -0.105 174.806 174.900 0.018 0.000 0.982 96 G CA -0.018 45.092 45.100 0.016 0.000 0.641 96 G HN 0.691 nan 8.290 nan 0.000 0.527 97 D N 1.187 121.594 120.400 0.012 0.000 2.358 97 D HA 0.452 5.092 4.640 -0.000 0.000 0.258 97 D C -0.170 176.113 176.300 -0.028 0.000 1.223 97 D CA 0.260 54.256 54.000 -0.006 0.000 0.886 97 D CB 1.265 42.054 40.800 -0.019 0.000 1.120 97 D HN 0.191 nan 8.370 nan 0.000 0.482 98 D N 2.356 122.737 120.400 -0.032 0.000 2.517 98 D HA 0.248 4.888 4.640 -0.000 0.000 0.301 98 D C -0.956 175.300 176.300 -0.073 0.000 1.202 98 D CA -0.479 53.497 54.000 -0.041 0.000 0.910 98 D CB -0.360 40.429 40.800 -0.018 0.000 1.021 98 D HN 0.422 nan 8.370 nan 0.000 0.499 99 c N 0.357 118.888 118.600 -0.115 0.000 3.211 99 c HA 0.744 5.313 4.570 -0.000 0.000 0.350 99 c C -1.143 172.826 174.090 -0.202 0.000 1.413 99 c CA -1.129 55.094 56.329 -0.177 0.000 1.203 99 c CB 1.236 43.585 42.510 -0.268 0.000 1.506 99 c HN 0.361 nan 8.230 nan 0.000 0.448 100 N N -0.324 118.227 118.700 -0.248 0.000 2.827 100 N HA 0.527 5.267 4.740 -0.000 0.000 0.240 100 N C -1.763 173.588 175.510 -0.266 0.000 1.352 100 N CA -0.132 52.785 53.050 -0.222 0.000 0.760 100 N CB 1.246 39.646 38.487 -0.145 0.000 1.426 100 N HN 0.852 nan 8.380 nan 0.000 0.561 101 V N 3.984 123.671 119.914 -0.377 0.000 2.443 101 V HA 0.489 4.609 4.120 -0.000 0.000 0.272 101 V C -2.221 173.707 176.094 -0.276 0.000 1.002 101 V CA -1.230 60.849 62.300 -0.368 0.000 0.840 101 V CB 1.328 32.773 31.823 -0.629 0.000 1.042 101 V HN 0.415 nan 8.190 nan 0.000 0.446 102 P HA 0.401 nan 4.420 nan 0.000 0.276 102 P C 0.132 177.379 177.300 -0.087 0.000 1.261 102 P CA -0.489 62.562 63.100 -0.081 0.000 0.800 102 P CB 0.761 32.434 31.700 -0.046 0.000 1.066 103 I N -2.539 117.988 120.570 -0.071 0.000 2.779 103 I HA 0.361 4.530 4.170 -0.000 0.000 0.285 103 I C -2.313 173.516 176.117 -0.481 0.000 1.134 103 I CA -2.528 58.597 61.300 -0.292 0.000 1.398 103 I CB -0.420 37.389 38.000 -0.318 0.000 1.404 103 I HN 0.122 nan 8.210 nan 0.000 0.587 104 P HA -0.068 nan 4.420 nan 0.000 0.259 104 P C 0.658 177.472 177.300 -0.809 0.000 1.163 104 P CA 0.369 62.970 63.100 -0.831 0.000 0.760 104 P CB 0.598 31.515 31.700 -1.306 0.000 0.762 105 S N 3.934 119.426 115.700 -0.346 0.000 2.423 105 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 105 S C 1.641 176.191 174.600 -0.083 0.000 1.014 105 S CA 0.390 58.556 58.200 -0.056 0.000 0.965 105 S CB -1.039 62.202 63.200 0.068 0.000 0.785 105 S HN 0.693 nan 8.310 nan 0.000 0.495 106 W N 1.749 122.992 121.300 -0.095 0.000 2.465 106 W HA 0.042 4.702 4.660 -0.000 0.000 0.268 106 W C 1.288 177.722 176.519 -0.141 0.000 1.242 106 W CA 0.554 57.850 57.345 -0.083 0.000 1.248 106 W CB -1.027 28.376 29.460 -0.094 0.000 1.118 106 W HN 0.155 nan 8.180 nan 0.000 0.587 107 V N 1.149 120.448 119.914 -1.026 0.000 2.392 107 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 107 V C 2.126 177.911 176.094 -0.514 0.000 1.059 107 V CA 2.467 64.176 62.300 -0.986 0.000 1.051 107 V CB -1.243 29.703 31.823 -1.463 0.000 0.658 107 V HN 0.220 nan 8.190 nan 0.000 0.455 108 W N 0.292 121.492 121.300 -0.166 0.000 2.392 108 W HA -0.113 4.547 4.660 -0.000 0.000 0.279 108 W C 2.222 178.745 176.519 0.007 0.000 1.225 108 W CA 0.936 58.248 57.345 -0.054 0.000 1.233 108 W CB -0.732 28.693 29.460 -0.058 0.000 1.122 108 W HN 0.261 nan 8.180 nan 0.000 0.561 109 N N 0.131 118.951 118.700 0.200 0.000 2.459 109 N HA -0.132 4.607 4.740 -0.000 0.000 0.181 109 N C 1.466 177.054 175.510 0.130 0.000 1.046 109 N CA 0.861 54.011 53.050 0.167 0.000 0.904 109 N CB -0.256 38.329 38.487 0.165 0.000 0.964 109 N HN 0.290 nan 8.380 nan 0.000 0.444 110 Q N -0.387 119.482 119.800 0.115 0.000 2.364 110 Q HA 0.021 4.361 4.340 -0.000 0.000 0.207 110 Q C -0.163 175.871 176.000 0.057 0.000 0.970 110 Q CA 0.903 56.759 55.803 0.089 0.000 0.888 110 Q CB 0.328 29.117 28.738 0.085 0.000 0.951 110 Q HN 0.146 nan 8.270 nan 0.000 0.469 111 K N -0.327 120.109 120.400 0.061 0.000 2.422 111 K HA 0.209 4.528 4.320 -0.000 0.000 0.251 111 K C 0.021 176.656 176.600 0.058 0.000 0.933 111 K CA -0.189 56.116 56.287 0.029 0.000 0.798 111 K CB 2.039 34.522 32.500 -0.027 0.000 1.238 111 K HN -0.080 nan 8.250 nan 0.000 0.428 112 S N -0.925 114.800 115.700 0.041 0.000 2.540 112 S HA 0.017 4.486 4.470 -0.000 0.000 0.218 112 S C 0.338 174.969 174.600 0.051 0.000 0.977 112 S CA -0.157 58.077 58.200 0.056 0.000 0.918 112 S CB -0.217 63.013 63.200 0.050 0.000 0.806 112 S HN 0.635 nan 8.310 nan 0.000 0.496 113 D N 1.668 122.078 120.400 0.016 0.000 2.560 113 D HA 0.298 4.938 4.640 -0.000 0.000 0.277 113 D C -0.243 176.030 176.300 -0.046 0.000 1.194 113 D CA -0.547 53.453 54.000 -0.000 0.000 1.092 113 D CB -0.013 40.776 40.800 -0.019 0.000 1.169 113 D HN 0.115 nan 8.370 nan 0.000 0.607 114 D N -1.941 118.380 120.400 -0.132 0.000 2.525 114 D HA 0.052 4.692 4.640 -0.000 0.000 0.229 114 D C 0.934 176.885 176.300 -0.581 0.000 1.202 114 D CA -0.199 53.541 54.000 -0.433 0.000 0.828 114 D CB -0.272 40.310 40.800 -0.362 0.000 1.008 114 D HN 0.228 nan 8.370 nan 0.000 0.493 115 S N 0.017 115.400 115.700 -0.529 0.000 2.423 115 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 115 S C 1.868 176.171 174.600 -0.495 0.000 1.014 115 S CA 0.317 58.031 58.200 -0.810 0.000 0.965 115 S CB -0.638 61.612 63.200 -1.584 0.000 0.785 115 S HN 0.336 nan 8.310 nan 0.000 0.495 116 L N 0.139 121.178 121.223 -0.306 0.000 2.217 116 L HA 0.121 4.460 4.340 -0.000 0.000 0.211 116 L C 1.329 178.261 176.870 0.102 0.000 1.107 116 L CA 0.540 55.363 54.840 -0.029 0.000 0.783 116 L CB -0.551 41.660 42.059 0.253 0.000 0.919 116 L HN 0.545 nan 8.230 nan 0.000 0.442 117 Y N -2.762 117.551 120.300 0.022 0.000 2.772 117 Y HA 0.692 5.242 4.550 -0.000 0.000 0.324 117 Y C -0.474 175.304 175.900 -0.203 0.000 1.169 117 Y CA -2.099 55.970 58.100 -0.051 0.000 1.198 117 Y CB 0.269 38.726 38.460 -0.005 0.000 1.402 117 Y HN -0.306 nan 8.280 nan 0.000 0.577 118 F N 0.110 120.298 119.950 0.397 0.000 2.538 118 F HA 0.644 5.171 4.527 -0.000 0.000 0.325 118 F C -0.208 175.794 175.800 0.338 0.000 1.066 118 F CA -1.076 57.107 58.000 0.306 0.000 0.946 118 F CB 2.204 41.365 39.000 0.268 0.000 1.199 118 F HN 0.384 nan 8.300 nan 0.000 0.473 119 K N 1.177 121.880 120.400 0.505 0.000 2.535 119 K HA 0.464 4.784 4.320 -0.000 0.000 0.250 119 K C -0.606 176.227 176.600 0.388 0.000 0.948 119 K CA -0.495 56.023 56.287 0.385 0.000 0.796 119 K CB 1.726 34.436 32.500 0.350 0.000 1.216 119 K HN 0.836 nan 8.250 nan 0.000 0.432 120 S N 2.217 118.066 115.700 0.248 0.000 2.641 120 S HA 0.110 4.579 4.470 -0.000 0.000 0.261 120 S C 0.960 175.496 174.600 -0.108 0.000 1.257 120 S CA -0.181 58.120 58.200 0.167 0.000 0.983 120 S CB 0.931 64.176 63.200 0.074 0.000 0.990 120 S HN 0.726 nan 8.310 nan 0.000 0.572 121 E N 0.422 120.398 120.200 -0.372 0.000 2.130 121 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 121 E C 1.590 177.917 176.600 -0.454 0.000 0.998 121 E CA 1.732 57.608 56.400 -0.873 0.000 0.806 121 E CB -0.527 28.908 29.700 -0.441 0.000 0.738 121 E HN 0.912 nan 8.360 nan 0.000 0.459 122 T N -2.963 111.467 114.554 -0.207 0.000 3.188 122 T HA 0.366 4.715 4.350 -0.000 0.000 0.250 122 T C 1.258 175.923 174.700 -0.059 0.000 1.077 122 T CA 0.167 62.200 62.100 -0.112 0.000 0.967 122 T CB 0.670 69.499 68.868 -0.065 0.000 1.006 122 T HN 0.295 nan 8.240 nan 0.000 0.552 123 G N 1.144 109.917 108.800 -0.045 0.000 2.157 123 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.248 123 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.248 123 G C 0.106 175.036 174.900 0.050 0.000 0.979 123 G CA -0.034 45.081 45.100 0.025 0.000 0.650 123 G HN 0.673 nan 8.290 nan 0.000 0.529 124 T N 1.243 115.824 114.554 0.045 0.000 2.779 124 T HA 0.451 4.801 4.350 -0.000 0.000 0.296 124 T C 0.659 175.415 174.700 0.094 0.000 0.938 124 T CA -0.142 61.987 62.100 0.048 0.000 1.119 124 T CB 2.167 71.055 68.868 0.033 0.000 0.891 124 T HN 0.370 nan 8.240 nan 0.000 0.526 125 V N 5.291 125.242 119.914 0.062 0.000 2.498 125 V HA 0.286 4.406 4.120 -0.000 0.000 0.279 125 V C 0.531 176.657 176.094 0.054 0.000 1.048 125 V CA -0.681 61.665 62.300 0.077 0.000 0.967 125 V CB 1.060 32.832 31.823 -0.085 0.000 0.988 125 V HN 0.804 nan 8.190 nan 0.000 0.473 126 N N 4.179 122.985 118.700 0.178 0.000 2.314 126 N HA 0.417 5.157 4.740 -0.000 0.000 0.294 126 N C -0.443 175.221 175.510 0.257 0.000 1.029 126 N CA -0.581 52.570 53.050 0.168 0.000 0.845 126 N CB 1.992 40.575 38.487 0.161 0.000 1.321 126 N HN 0.620 nan 8.380 nan 0.000 0.481 127 K N 2.308 122.780 120.400 0.119 0.000 2.676 127 K HA 0.183 4.503 4.320 -0.000 0.000 0.205 127 K C 0.358 177.155 176.600 0.328 0.000 1.084 127 K CA -0.124 56.251 56.287 0.146 0.000 1.057 127 K CB 0.927 33.191 32.500 -0.393 0.000 0.791 127 K HN 0.557 nan 8.250 nan 0.000 0.484 128 E N 0.641 121.014 120.200 0.288 0.000 2.204 128 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 128 E C 0.545 177.353 176.600 0.347 0.000 0.989 128 E CA 0.897 57.448 56.400 0.252 0.000 0.824 128 E CB 0.407 30.205 29.700 0.164 0.000 0.756 128 E HN 0.060 nan 8.360 nan 0.000 0.477 129 T N -1.110 113.715 114.554 0.452 0.000 2.802 129 T HA 0.359 4.708 4.350 -0.000 0.000 0.311 129 T C -1.442 173.549 174.700 0.485 0.000 1.405 129 T CA -0.784 61.588 62.100 0.454 0.000 1.016 129 T CB 0.788 69.899 68.868 0.405 0.000 1.352 129 T HN -0.079 nan 8.240 nan 0.000 0.498 130 L N 3.266 124.692 121.223 0.339 0.000 2.426 130 L HA 0.368 4.707 4.340 -0.000 0.000 0.271 130 L C 0.988 177.858 176.870 -0.000 0.000 1.169 130 L CA -0.727 54.204 54.840 0.151 0.000 0.836 130 L CB 0.404 42.515 42.059 0.087 0.000 1.112 130 L HN 0.614 nan 8.230 nan 0.000 0.465 131 N N 4.042 122.565 118.700 -0.296 0.000 2.468 131 N HA 0.053 4.793 4.740 -0.000 0.000 0.265 131 N C -1.806 173.515 175.510 -0.314 0.000 1.199 131 N CA -1.345 51.327 53.050 -0.631 0.000 0.928 131 N CB 1.532 39.558 38.487 -0.769 0.000 1.059 131 N HN 0.279 nan 8.380 nan 0.000 0.467 132 P HA -0.102 nan 4.420 nan 0.000 0.218 132 P C 1.392 178.600 177.300 -0.153 0.000 1.146 132 P CA 0.961 63.823 63.100 -0.398 0.000 0.813 132 P CB 0.276 31.649 31.700 -0.546 0.000 0.778 133 L N -1.396 119.790 121.223 -0.061 0.000 2.265 133 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 133 L C 1.570 178.559 176.870 0.199 0.000 1.117 133 L CA 0.708 55.626 54.840 0.130 0.000 0.782 133 L CB -0.825 41.420 42.059 0.311 0.000 0.914 133 L HN -0.075 nan 8.230 nan 0.000 0.441 134 A N -0.286 122.543 122.820 0.016 0.000 3.135 134 A HA 0.169 4.488 4.320 -0.000 0.000 0.253 134 A C 1.746 179.298 177.584 -0.054 0.000 1.638 134 A CA 0.319 52.318 52.037 -0.063 0.000 1.295 134 A CB -0.454 18.434 19.000 -0.186 0.000 1.106 134 A HN 0.410 nan 8.150 nan 0.000 0.648 135 S N 0.765 116.467 115.700 0.004 0.000 2.419 135 S HA -0.227 4.243 4.470 -0.000 0.000 0.235 135 S C 1.488 176.065 174.600 -0.039 0.000 1.019 135 S CA 1.305 59.493 58.200 -0.020 0.000 0.982 135 S CB -0.326 62.887 63.200 0.021 0.000 0.789 135 S HN 0.770 nan 8.310 nan 0.000 0.490 136 D N 1.952 122.345 120.400 -0.011 0.000 2.117 136 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 136 D C 1.942 178.223 176.300 -0.032 0.000 0.982 136 D CA 1.039 55.032 54.000 -0.010 0.000 0.828 136 D CB -0.825 39.984 40.800 0.016 0.000 0.967 136 D HN 0.427 nan 8.370 nan 0.000 0.464 137 V N 1.058 120.943 119.914 -0.049 0.000 2.453 137 V HA -0.152 3.967 4.120 -0.000 0.000 0.247 137 V C 2.657 178.698 176.094 -0.089 0.000 1.048 137 V CA 0.749 63.025 62.300 -0.041 0.000 1.049 137 V CB -0.271 31.522 31.823 -0.050 0.000 0.672 137 V HN 0.162 nan 8.190 nan 0.000 0.457 138 I N 0.307 120.759 120.570 -0.197 0.000 2.142 138 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 138 I C 2.607 178.504 176.117 -0.367 0.000 1.078 138 I CA 1.816 62.834 61.300 -0.469 0.000 1.343 138 I CB -1.215 36.487 38.000 -0.496 0.000 1.046 138 I HN 0.323 nan 8.210 nan 0.000 0.405 139 R N 1.295 121.673 120.500 -0.203 0.000 2.096 139 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 139 R C 2.378 178.629 176.300 -0.081 0.000 1.139 139 R CA 2.020 58.042 56.100 -0.131 0.000 0.952 139 R CB -0.149 30.108 30.300 -0.072 0.000 0.854 139 R HN 0.302 nan 8.270 nan 0.000 0.436 140 K N 0.160 120.538 120.400 -0.037 0.000 1.965 140 K HA -0.169 4.151 4.320 -0.000 0.000 0.214 140 K C 1.877 178.513 176.600 0.059 0.000 1.046 140 K CA 1.767 58.068 56.287 0.022 0.000 0.944 140 K CB -0.086 32.447 32.500 0.054 0.000 0.726 140 K HN 0.120 nan 8.250 nan 0.000 0.441 141 E N 0.062 120.327 120.200 0.109 0.000 2.085 141 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 141 E C 2.184 178.816 176.600 0.053 0.000 0.994 141 E CA 1.380 57.901 56.400 0.202 0.000 0.801 141 E CB -0.468 29.449 29.700 0.363 0.000 0.743 141 E HN 0.452 nan 8.360 nan 0.000 0.453 142 Y N 0.728 120.794 120.300 -0.391 0.000 2.263 142 Y HA 0.004 4.554 4.550 -0.001 0.000 0.292 142 Y C 2.576 178.002 175.900 -0.791 0.000 1.130 142 Y CA 0.782 58.419 58.100 -0.772 0.000 1.179 142 Y CB -1.106 36.857 38.460 -0.828 0.000 0.998 142 Y HN 0.084 nan 8.280 nan 0.000 0.532 143 G N -0.252 108.401 108.800 -0.244 0.000 2.421 143 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 143 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 143 G C 1.548 176.405 174.900 -0.072 0.000 1.171 143 G CA 0.934 45.937 45.100 -0.162 0.000 0.775 143 G HN 0.396 nan 8.290 nan 0.000 0.543 144 E N -0.309 119.905 120.200 0.023 0.000 2.051 144 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 144 E C 2.395 179.093 176.600 0.163 0.000 0.991 144 E CA 0.850 57.343 56.400 0.154 0.000 0.799 144 E CB -0.211 29.661 29.700 0.288 0.000 0.748 144 E HN 0.312 nan 8.360 nan 0.000 0.449 145 L N 0.441 121.743 121.223 0.131 0.000 2.017 145 L HA -0.207 4.132 4.340 -0.000 0.000 0.208 145 L C 2.062 179.010 176.870 0.129 0.000 1.073 145 L CA 1.740 56.646 54.840 0.111 0.000 0.745 145 L CB -0.582 41.427 42.059 -0.084 0.000 0.894 145 L HN 0.243 nan 8.230 nan 0.000 0.432 146 Y N -1.022 119.231 120.300 -0.079 0.000 2.145 146 Y HA -0.279 4.271 4.550 -0.001 0.000 0.286 146 Y C 2.490 178.276 175.900 -0.191 0.000 1.145 146 Y CA 1.022 59.053 58.100 -0.115 0.000 1.148 146 Y CB -0.683 37.586 38.460 -0.319 0.000 0.981 146 Y HN 0.226 nan 8.280 nan 0.000 0.507 147 T N 0.173 114.713 114.554 -0.024 0.000 2.684 147 T HA -0.230 4.119 4.350 -0.000 0.000 0.267 147 T C 2.082 176.733 174.700 -0.081 0.000 1.036 147 T CA 1.291 63.347 62.100 -0.073 0.000 1.148 147 T CB -0.487 68.358 68.868 -0.039 0.000 0.863 147 T HN 0.466 nan 8.240 nan 0.000 0.436 148 A N 0.571 123.304 122.820 -0.144 0.000 1.930 148 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 148 A C 1.998 179.236 177.584 -0.576 0.000 1.175 148 A CA 1.061 52.904 52.037 -0.324 0.000 0.627 148 A CB -0.838 17.730 19.000 -0.720 0.000 0.815 148 A HN 0.491 nan 8.150 nan 0.000 0.443 149 F N 0.939 120.539 119.950 -0.583 0.000 2.146 149 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 149 F C 2.493 178.111 175.800 -0.303 0.000 1.096 149 F CA 1.038 58.616 58.000 -0.704 0.000 1.275 149 F CB -0.374 38.500 39.000 -0.210 0.000 1.008 149 F HN 0.243 nan 8.300 nan 0.000 0.480 150 A N 0.489 123.385 122.820 0.127 0.000 1.908 150 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 150 A C 2.406 180.053 177.584 0.104 0.000 1.181 150 A CA 1.946 54.192 52.037 0.348 0.000 0.627 150 A CB -1.586 17.671 19.000 0.427 0.000 0.818 150 A HN 0.498 nan 8.150 nan 0.000 0.445 151 A N -0.342 122.428 122.820 -0.084 0.000 1.898 151 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 151 A C 2.475 179.951 177.584 -0.179 0.000 1.181 151 A CA 1.984 53.950 52.037 -0.117 0.000 0.620 151 A CB -0.916 18.020 19.000 -0.107 0.000 0.819 151 A HN 1.058 nan 8.150 nan 0.000 0.442 152 A N -1.268 121.330 122.820 -0.369 0.000 1.969 152 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 152 A C 1.914 179.343 177.584 -0.259 0.000 1.169 152 A CA 1.683 53.495 52.037 -0.375 0.000 0.635 152 A CB -0.316 18.223 19.000 -0.769 0.000 0.810 152 A HN 0.401 nan 8.150 nan 0.000 0.445 153 M N -0.726 118.666 119.600 -0.347 0.000 2.495 153 M HA 0.133 4.613 4.480 -0.000 0.000 0.237 153 M C 1.565 177.995 176.300 0.216 0.000 1.131 153 M CA 0.474 55.711 55.300 -0.105 0.000 1.032 153 M CB -0.769 31.521 32.600 -0.516 0.000 1.513 153 M HN 0.513 nan 8.290 nan 0.000 0.488 154 K N 1.785 122.231 120.400 0.076 0.000 2.044 154 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 154 K C -0.838 175.665 176.600 -0.162 0.000 1.049 154 K CA 1.516 57.736 56.287 -0.111 0.000 0.927 154 K CB -0.653 31.742 32.500 -0.174 0.000 0.713 154 K HN 0.166 nan 8.250 nan 0.000 0.443 155 P HA -0.134 nan 4.420 nan 0.000 0.230 155 P C -0.070 176.897 177.300 -0.556 0.000 1.158 155 P CA 1.194 64.023 63.100 -0.452 0.000 0.769 155 P CB -0.013 31.313 31.700 -0.624 0.000 0.807 156 Y N 0.159 120.448 120.300 -0.018 0.000 2.681 156 Y HA 0.214 4.763 4.550 -0.000 0.000 0.267 156 Y C 2.118 178.069 175.900 0.084 0.000 1.166 156 Y CA -0.564 57.542 58.100 0.011 0.000 1.209 156 Y CB -0.241 38.212 38.460 -0.012 0.000 1.161 156 Y HN -0.046 nan 8.280 nan 0.000 0.534 157 K N 0.432 120.944 120.400 0.187 0.000 2.281 157 K HA -0.205 4.115 4.320 -0.000 0.000 0.203 157 K C 0.956 177.664 176.600 0.181 0.000 1.046 157 K CA 2.106 58.553 56.287 0.266 0.000 0.938 157 K CB -0.296 32.168 32.500 -0.060 0.000 0.737 157 K HN 0.426 nan 8.250 nan 0.000 0.458 158 D N 1.460 121.919 120.400 0.098 0.000 2.312 158 D HA -0.103 4.536 4.640 -0.000 0.000 0.211 158 D C 1.667 178.014 176.300 0.078 0.000 0.964 158 D CA 1.251 55.294 54.000 0.071 0.000 0.877 158 D CB 0.122 40.941 40.800 0.032 0.000 0.924 158 D HN 0.355 nan 8.370 nan 0.000 0.515 159 V N -1.783 118.193 119.914 0.104 0.000 3.542 159 V HA 0.320 4.440 4.120 -0.000 0.000 0.296 159 V C 0.766 176.899 176.094 0.066 0.000 1.364 159 V CA -0.528 61.817 62.300 0.075 0.000 1.118 159 V CB -0.571 31.308 31.823 0.092 0.000 0.972 159 V HN -0.035 nan 8.190 nan 0.000 0.430 160 I N 1.509 122.128 120.570 0.082 0.000 2.312 160 I HA 0.587 4.757 4.170 -0.000 0.000 0.290 160 I C 1.310 177.441 176.117 0.023 0.000 1.008 160 I CA 0.048 61.364 61.300 0.027 0.000 1.226 160 I CB 1.684 39.667 38.000 -0.028 0.000 1.371 160 I HN 0.176 nan 8.210 nan 0.000 0.468 161 A N 6.386 129.204 122.820 -0.003 0.000 1.997 161 A HA 0.142 4.461 4.320 -0.000 0.000 0.212 161 A C 0.805 178.364 177.584 -0.041 0.000 1.178 161 A CA 0.825 52.888 52.037 0.043 0.000 0.698 161 A CB 0.309 19.400 19.000 0.151 0.000 0.842 161 A HN 0.716 nan 8.150 nan 0.000 0.458 162 K N -1.259 119.045 120.400 -0.161 0.000 2.607 162 K HA 0.606 4.925 4.320 -0.000 0.000 0.287 162 K C -2.243 174.131 176.600 -0.376 0.000 0.996 162 K CA -0.706 55.419 56.287 -0.271 0.000 0.876 162 K CB 0.973 33.260 32.500 -0.355 0.000 1.496 162 K HN 0.100 nan 8.250 nan 0.000 0.415 163 I N 2.555 122.856 120.570 -0.449 0.000 2.498 163 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 163 I C -1.186 174.673 176.117 -0.430 0.000 1.032 163 I CA -0.830 60.167 61.300 -0.505 0.000 1.073 163 I CB 1.717 39.258 38.000 -0.765 0.000 1.251 163 I HN 0.550 nan 8.210 nan 0.000 0.426 164 Y N 5.660 125.761 120.300 -0.331 0.000 2.387 164 Y HA 0.601 5.151 4.550 -0.000 0.000 0.336 164 Y C -0.090 175.650 175.900 -0.267 0.000 1.067 164 Y CA -0.777 57.176 58.100 -0.246 0.000 1.114 164 Y CB 1.799 40.135 38.460 -0.206 0.000 1.208 164 Y HN 0.297 nan 8.280 nan 0.000 0.458 165 L N 1.480 122.727 121.223 0.039 0.000 2.313 165 L HA 0.533 4.872 4.340 -0.000 0.000 0.268 165 L C -0.256 176.633 176.870 0.032 0.000 1.010 165 L CA -0.960 53.859 54.840 -0.036 0.000 0.814 165 L CB 1.806 43.850 42.059 -0.025 0.000 1.304 165 L HN 0.437 nan 8.230 nan 0.000 0.441 166 S N -0.481 115.260 115.700 0.067 0.000 2.498 166 S HA 0.445 4.915 4.470 -0.000 0.000 0.324 166 S C 0.599 175.320 174.600 0.201 0.000 1.071 166 S CA -0.467 57.805 58.200 0.119 0.000 1.113 166 S CB 1.045 64.391 63.200 0.244 0.000 0.976 166 S HN 0.785 nan 8.310 nan 0.000 0.462 167 G N 2.675 111.582 108.800 0.178 0.000 3.141 167 G HA2 0.540 4.500 3.960 -0.000 0.000 0.218 167 G HA3 0.540 4.500 3.960 -0.000 0.000 0.218 167 G C 0.670 175.719 174.900 0.249 0.000 1.170 167 G CA 0.194 45.456 45.100 0.271 0.000 0.769 167 G HN 1.173 nan 8.290 nan 0.000 0.546 168 G N -0.667 108.230 108.800 0.161 0.000 2.399 168 G HA2 0.372 4.332 3.960 -0.000 0.000 0.256 168 G HA3 0.372 4.332 3.960 -0.000 0.000 0.256 168 G C -3.303 171.612 174.900 0.026 0.000 1.236 168 G CA -0.756 44.402 45.100 0.096 0.000 0.914 168 G HN -0.036 nan 8.290 nan 0.000 0.482 169 P HA 0.397 nan 4.420 nan 0.000 0.265 169 P C 0.621 177.824 177.300 -0.161 0.000 1.193 169 P CA 1.766 64.834 63.100 -0.053 0.000 0.765 169 P CB 1.184 32.806 31.700 -0.131 0.000 0.823 170 A N 3.321 126.036 122.820 -0.176 0.000 2.790 170 A HA -0.100 4.220 4.320 -0.000 0.000 0.277 170 A C 1.496 178.746 177.584 -0.557 0.000 1.435 170 A CA 1.498 53.404 52.037 -0.218 0.000 0.877 170 A CB -2.462 16.520 19.000 -0.030 0.000 1.007 170 A HN 1.107 nan 8.150 nan 0.000 0.613 171 G N -2.213 105.944 108.800 -1.071 0.000 2.148 171 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 171 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 171 G C -0.257 174.533 174.900 -0.183 0.000 0.981 171 G CA 0.938 45.669 45.100 -0.615 0.000 0.670 171 G HN 1.251 nan 8.290 nan 0.000 0.528 172 E N -0.761 119.376 120.200 -0.106 0.000 2.179 172 E HA 0.549 4.898 4.350 -0.000 0.000 0.275 172 E C -0.006 176.658 176.600 0.107 0.000 0.945 172 E CA -1.120 55.310 56.400 0.051 0.000 0.792 172 E CB 1.933 31.691 29.700 0.096 0.000 1.125 172 E HN 0.190 nan 8.360 nan 0.000 0.397 173 L N 5.257 126.609 121.223 0.214 0.000 2.536 173 L HA 0.153 4.493 4.340 -0.000 0.000 0.282 173 L C -0.283 176.712 176.870 0.209 0.000 1.147 173 L CA 0.893 55.871 54.840 0.230 0.000 0.936 173 L CB -0.907 41.353 42.059 0.335 0.000 1.279 173 L HN 0.610 nan 8.230 nan 0.000 0.461 174 R N 2.096 122.584 120.500 -0.020 0.000 2.855 174 R HA 0.330 4.669 4.340 -0.000 0.000 0.274 174 R C -1.545 174.532 176.300 -0.372 0.000 0.997 174 R CA -1.059 54.919 56.100 -0.204 0.000 0.856 174 R CB 0.315 30.507 30.300 -0.179 0.000 1.378 174 R HN 0.148 nan 8.270 nan 0.000 0.462 175 Y N 0.405 120.526 120.300 -0.298 0.000 2.376 175 Y HA 0.413 4.963 4.550 -0.000 0.000 0.325 175 Y C -1.641 174.004 175.900 -0.426 0.000 1.199 175 Y CA -2.220 55.646 58.100 -0.390 0.000 1.206 175 Y CB 1.483 39.782 38.460 -0.268 0.000 1.229 175 Y HN 0.384 nan 8.280 nan 0.000 0.480 176 P HA 0.021 nan 4.420 nan 0.000 0.218 176 P C 0.159 177.314 177.300 -0.242 0.000 1.793 176 P CA 0.127 62.996 63.100 -0.385 0.000 0.941 176 P CB -0.179 31.275 31.700 -0.410 0.000 1.919 177 S N -0.376 115.232 115.700 -0.154 0.000 2.515 177 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 177 S C 0.586 175.277 174.600 0.151 0.000 0.987 177 S CA 0.005 58.213 58.200 0.014 0.000 0.936 177 S CB -1.094 62.140 63.200 0.057 0.000 0.766 177 S HN 0.419 nan 8.310 nan 0.000 0.528 178 Y N 1.335 121.676 120.300 0.069 0.000 2.526 178 Y HA 0.745 5.295 4.550 -0.001 0.000 0.328 178 Y C -0.280 175.674 175.900 0.091 0.000 0.995 178 Y CA -0.965 57.215 58.100 0.134 0.000 1.304 178 Y CB 0.469 39.119 38.460 0.317 0.000 1.096 178 Y HN 0.126 nan 8.280 nan 0.000 0.499 179 T N -1.648 112.983 114.554 0.129 0.000 2.896 179 T HA 0.338 4.688 4.350 -0.000 0.000 0.297 179 T C 0.487 175.222 174.700 0.059 0.000 1.108 179 T CA -0.546 61.590 62.100 0.060 0.000 1.004 179 T CB 1.712 70.580 68.868 0.001 0.000 1.159 179 T HN 0.432 nan 8.240 nan 0.000 0.499 180 T N 1.327 115.903 114.554 0.037 0.000 2.737 180 T HA -0.070 4.279 4.350 -0.000 0.000 0.265 180 T C 2.218 176.926 174.700 0.012 0.000 1.038 180 T CA 1.836 63.949 62.100 0.022 0.000 1.144 180 T CB -0.632 68.242 68.868 0.010 0.000 0.866 180 T HN 0.687 nan 8.240 nan 0.000 0.434 181 S N 1.362 117.066 115.700 0.006 0.000 2.383 181 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 181 S C 1.763 176.366 174.600 0.005 0.000 1.030 181 S CA 1.209 59.409 58.200 -0.001 0.000 1.002 181 S CB -0.360 62.836 63.200 -0.007 0.000 0.829 181 S HN 0.428 nan 8.310 nan 0.000 0.467 182 D N 0.210 120.619 120.400 0.015 0.000 2.349 182 D HA 0.156 4.795 4.640 -0.000 0.000 0.215 182 D C 1.216 177.528 176.300 0.021 0.000 1.016 182 D CA 0.633 54.645 54.000 0.019 0.000 0.870 182 D CB -0.276 40.541 40.800 0.029 0.000 0.917 182 D HN 0.398 nan 8.370 nan 0.000 0.524 183 G N 0.598 109.412 108.800 0.023 0.000 2.221 183 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.265 183 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.265 183 G C 0.738 175.659 174.900 0.036 0.000 1.041 183 G CA 0.941 46.053 45.100 0.020 0.000 0.807 183 G HN 0.439 nan 8.290 nan 0.000 0.502 184 T N -2.539 112.055 114.554 0.066 0.000 3.252 184 T HA 0.584 4.933 4.350 -0.000 0.000 0.286 184 T C 1.236 176.042 174.700 0.177 0.000 1.013 184 T CA 0.681 62.847 62.100 0.111 0.000 0.914 184 T CB 1.051 69.994 68.868 0.125 0.000 1.131 184 T HN 1.305 nan 8.240 nan 0.000 0.529 185 G N 0.838 109.707 108.800 0.115 0.000 2.636 185 G HA2 0.376 4.336 3.960 -0.000 0.000 0.246 185 G HA3 0.376 4.336 3.960 -0.000 0.000 0.246 185 G C -0.437 174.433 174.900 -0.050 0.000 1.216 185 G CA -0.816 44.346 45.100 0.104 0.000 0.854 185 G HN 0.502 nan 8.290 nan 0.000 0.572 186 Y N 1.860 121.892 120.300 -0.447 0.000 2.904 186 Y HA 0.143 4.693 4.550 -0.001 0.000 0.336 186 Y C -0.975 174.627 175.900 -0.497 0.000 1.263 186 Y CA -0.643 56.874 58.100 -0.971 0.000 1.547 186 Y CB 0.968 38.674 38.460 -1.257 0.000 1.272 186 Y HN 0.333 nan 8.280 nan 0.000 0.596 187 P HA 0.157 nan 4.420 nan 0.000 0.259 187 P C -0.678 176.437 177.300 -0.309 0.000 1.530 187 P CA -0.086 62.265 63.100 -1.249 0.000 1.022 187 P CB 0.176 31.149 31.700 -1.212 0.000 1.514 188 S N 1.217 116.823 115.700 -0.157 0.000 2.589 188 S HA 0.197 4.667 4.470 -0.000 0.000 0.265 188 S C 0.810 175.531 174.600 0.202 0.000 1.342 188 S CA -0.534 57.689 58.200 0.038 0.000 1.005 188 S CB 0.503 63.716 63.200 0.022 0.000 0.909 188 S HN 0.352 nan 8.310 nan 0.000 0.555 189 R N 0.133 120.702 120.500 0.116 0.000 2.707 189 R HA 0.584 4.924 4.340 -0.000 0.000 0.270 189 R C 0.449 176.793 176.300 0.073 0.000 1.083 189 R CA -0.548 55.599 56.100 0.077 0.000 1.182 189 R CB -0.040 30.277 30.300 0.028 0.000 1.084 189 R HN 0.595 nan 8.270 nan 0.000 0.528 190 G N 0.517 109.318 108.800 0.001 0.000 2.491 190 G HA2 0.389 4.348 3.960 -0.000 0.000 0.327 190 G HA3 0.389 4.348 3.960 -0.000 0.000 0.327 190 G C -1.066 173.760 174.900 -0.122 0.000 1.189 190 G CA -1.088 44.011 45.100 -0.002 0.000 0.956 190 G HN 0.481 nan 8.290 nan 0.000 0.491 191 K N -0.236 120.111 120.400 -0.088 0.000 2.164 191 K HA 0.379 4.699 4.320 -0.000 0.000 0.258 191 K C -0.938 175.592 176.600 -0.118 0.000 0.951 191 K CA -0.441 55.791 56.287 -0.093 0.000 0.844 191 K CB 1.942 34.438 32.500 -0.007 0.000 1.099 191 K HN 0.349 nan 8.250 nan 0.000 0.435 192 F N 1.499 121.490 119.950 0.068 0.000 2.506 192 F HA -0.010 4.516 4.527 -0.000 0.000 0.351 192 F C 1.420 177.373 175.800 0.255 0.000 1.136 192 F CA 0.249 58.291 58.000 0.069 0.000 1.298 192 F CB 0.616 39.569 39.000 -0.079 0.000 1.145 192 F HN 0.252 nan 8.300 nan 0.000 0.593 193 Q N 2.752 122.796 119.800 0.407 0.000 2.354 193 Q HA 0.358 4.697 4.340 -0.000 0.000 0.372 193 Q C -0.268 176.008 176.000 0.459 0.000 0.923 193 Q CA -0.103 55.944 55.803 0.406 0.000 1.123 193 Q CB 1.193 30.093 28.738 0.270 0.000 1.298 193 Q HN 0.648 nan 8.270 nan 0.000 0.419 194 A N 0.129 123.162 122.820 0.355 0.000 2.956 194 A HA 0.370 4.690 4.320 -0.000 0.000 0.294 194 A C -0.343 177.152 177.584 -0.149 0.000 0.993 194 A CA -0.284 51.869 52.037 0.193 0.000 1.032 194 A CB -0.040 19.142 19.000 0.302 0.000 1.129 194 A HN 0.262 nan 8.150 nan 0.000 0.505 195 Y N 0.371 120.808 120.300 0.229 0.000 2.507 195 Y HA 0.125 4.675 4.550 -0.000 0.000 0.254 195 Y C 1.488 177.482 175.900 0.157 0.000 1.171 195 Y CA 0.235 58.431 58.100 0.161 0.000 1.238 195 Y CB 0.142 38.673 38.460 0.120 0.000 1.148 195 Y HN 0.422 nan 8.280 nan 0.000 0.525 196 T N -2.342 112.362 114.554 0.249 0.000 2.860 196 T HA 0.054 4.404 4.350 -0.000 0.000 0.299 196 T C 1.176 175.974 174.700 0.163 0.000 1.045 196 T CA -0.549 61.658 62.100 0.178 0.000 1.071 196 T CB 1.263 70.175 68.868 0.074 0.000 0.985 196 T HN 0.085 nan 8.240 nan 0.000 0.537 197 E N 0.197 120.484 120.200 0.145 0.000 2.153 197 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 197 E C 1.482 178.180 176.600 0.163 0.000 0.988 197 E CA 0.827 57.309 56.400 0.137 0.000 0.811 197 E CB -0.438 29.336 29.700 0.123 0.000 0.746 197 E HN 0.778 nan 8.360 nan 0.000 0.466 198 F N 1.570 121.537 119.950 0.029 0.000 2.102 198 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 198 F C 2.275 178.138 175.800 0.105 0.000 1.105 198 F CA 1.446 59.471 58.000 0.042 0.000 1.239 198 F CB -0.360 38.635 39.000 -0.009 0.000 0.991 198 F HN -0.005 nan 8.300 nan 0.000 0.474 199 A N 0.200 123.154 122.820 0.223 0.000 1.902 199 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 199 A C 2.229 179.895 177.584 0.136 0.000 1.181 199 A CA 1.951 54.143 52.037 0.258 0.000 0.623 199 A CB -0.686 18.506 19.000 0.320 0.000 0.818 199 A HN 0.463 nan 8.150 nan 0.000 0.443 200 K N -0.090 120.354 120.400 0.072 0.000 2.097 200 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 200 K C 2.322 178.917 176.600 -0.008 0.000 1.049 200 K CA 1.491 57.795 56.287 0.029 0.000 0.933 200 K CB -0.193 32.336 32.500 0.049 0.000 0.717 200 K HN 0.415 nan 8.250 nan 0.000 0.442 201 S N 0.944 116.619 115.700 -0.041 0.000 2.368 201 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 201 S C 1.694 176.214 174.600 -0.133 0.000 1.029 201 S CA 1.081 59.228 58.200 -0.089 0.000 0.988 201 S CB -0.011 63.121 63.200 -0.112 0.000 0.838 201 S HN 0.190 nan 8.310 nan 0.000 0.462 202 K N 1.150 121.450 120.400 -0.167 0.000 2.026 202 K HA 0.021 4.340 4.320 -0.000 0.000 0.208 202 K C 1.729 178.291 176.600 -0.063 0.000 1.048 202 K CA 0.944 57.202 56.287 -0.047 0.000 0.929 202 K CB -0.906 31.656 32.500 0.104 0.000 0.713 202 K HN 0.409 nan 8.250 nan 0.000 0.439 203 F N 2.523 122.116 119.950 -0.595 0.000 2.102 203 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 203 F C 2.550 178.130 175.800 -0.366 0.000 1.105 203 F CA 1.439 58.734 58.000 -1.175 0.000 1.239 203 F CB -0.345 37.832 39.000 -1.371 0.000 0.991 203 F HN -0.050 nan 8.300 nan 0.000 0.474 204 R N -0.073 120.220 120.500 -0.345 0.000 2.096 204 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 204 R C 2.159 178.332 176.300 -0.211 0.000 1.139 204 R CA 2.051 57.983 56.100 -0.280 0.000 0.952 204 R CB -0.582 29.647 30.300 -0.118 0.000 0.854 204 R HN 0.331 nan 8.270 nan 0.000 0.436 205 L N -0.583 120.565 121.223 -0.124 0.000 2.017 205 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 205 L C 2.090 178.938 176.870 -0.038 0.000 1.073 205 L CA 1.834 56.635 54.840 -0.065 0.000 0.745 205 L CB -1.037 41.010 42.059 -0.019 0.000 0.894 205 L HN 0.368 nan 8.230 nan 0.000 0.432 206 W N -0.463 120.724 121.300 -0.188 0.000 2.338 206 W HA -0.228 4.432 4.660 -0.000 0.000 0.304 206 W C 2.357 178.768 176.519 -0.179 0.000 1.212 206 W CA 1.930 59.205 57.345 -0.115 0.000 1.264 206 W CB -0.159 29.286 29.460 -0.026 0.000 1.142 206 W HN -0.084 nan 8.180 nan 0.000 0.512 207 V N 0.984 120.849 119.914 -0.083 0.000 2.270 207 V HA -0.318 3.802 4.120 -0.000 0.000 0.245 207 V C 2.305 178.264 176.094 -0.224 0.000 1.043 207 V CA 2.052 64.250 62.300 -0.169 0.000 1.014 207 V CB -1.060 30.639 31.823 -0.207 0.000 0.645 207 V HN 0.219 nan 8.190 nan 0.000 0.447 208 L N 0.528 121.635 121.223 -0.192 0.000 2.191 208 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 208 L C 2.476 179.236 176.870 -0.184 0.000 1.103 208 L CA 1.619 56.365 54.840 -0.156 0.000 0.769 208 L CB -0.706 41.277 42.059 -0.125 0.000 0.908 208 L HN 0.493 nan 8.230 nan 0.000 0.438 209 N N 0.795 119.354 118.700 -0.235 0.000 2.216 209 N HA -0.225 4.514 4.740 -0.000 0.000 0.183 209 N C 1.909 177.203 175.510 -0.360 0.000 1.017 209 N CA 1.192 54.092 53.050 -0.250 0.000 0.861 209 N CB 0.184 38.530 38.487 -0.234 0.000 0.986 209 N HN 0.328 nan 8.380 nan 0.000 0.428 210 K N -0.611 119.450 120.400 -0.565 0.000 2.062 210 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 210 K C 1.224 177.395 176.600 -0.716 0.000 1.051 210 K CA 1.108 56.940 56.287 -0.757 0.000 0.941 210 K CB -0.032 31.767 32.500 -1.169 0.000 0.719 210 K HN 0.236 nan 8.250 nan 0.000 0.440 211 Y N -1.280 118.850 120.300 -0.283 0.000 2.507 211 Y HA 0.195 4.744 4.550 -0.000 0.000 0.263 211 Y C 1.691 177.478 175.900 -0.188 0.000 1.093 211 Y CA 0.242 58.201 58.100 -0.235 0.000 1.285 211 Y CB 1.072 39.353 38.460 -0.297 0.000 1.115 211 Y HN 0.369 nan 8.280 nan 0.000 0.533 212 G N 0.433 109.192 108.800 -0.068 0.000 2.417 212 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.233 212 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.233 212 G C 0.332 175.194 174.900 -0.062 0.000 1.103 212 G CA 0.452 45.510 45.100 -0.070 0.000 0.647 212 G HN 0.604 nan 8.290 nan 0.000 0.512 213 S N -1.308 114.357 115.700 -0.058 0.000 2.570 213 S HA 0.669 5.139 4.470 -0.000 0.000 0.270 213 S C 0.440 174.968 174.600 -0.120 0.000 1.149 213 S CA 0.170 58.323 58.200 -0.079 0.000 0.837 213 S CB 1.759 64.919 63.200 -0.066 0.000 1.124 213 S HN 1.194 nan 8.310 nan 0.000 0.465 214 L N 1.840 122.989 121.223 -0.124 0.000 2.191 214 L HA 0.029 4.369 4.340 -0.000 0.000 0.212 214 L C 1.618 178.384 176.870 -0.172 0.000 1.103 214 L CA 1.988 56.733 54.840 -0.159 0.000 0.769 214 L CB -1.168 40.825 42.059 -0.110 0.000 0.908 214 L HN 0.820 nan 8.230 nan 0.000 0.438 215 N N -0.799 117.824 118.700 -0.129 0.000 2.142 215 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 215 N C 1.630 177.048 175.510 -0.155 0.000 1.023 215 N CA 1.275 54.255 53.050 -0.117 0.000 0.852 215 N CB -0.206 38.234 38.487 -0.078 0.000 0.998 215 N HN 0.294 nan 8.380 nan 0.000 0.424 216 E N 0.472 120.575 120.200 -0.162 0.000 2.106 216 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 216 E C 2.106 178.430 176.600 -0.460 0.000 0.984 216 E CA 0.473 56.761 56.400 -0.187 0.000 0.806 216 E CB -0.348 29.317 29.700 -0.059 0.000 0.750 216 E HN 0.186 nan 8.360 nan 0.000 0.458 217 V N 2.498 122.062 119.914 -0.582 0.000 2.295 217 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 217 V C 1.986 177.621 176.094 -0.765 0.000 1.049 217 V CA 1.706 63.374 62.300 -1.053 0.000 1.024 217 V CB -0.533 30.773 31.823 -0.862 0.000 0.648 217 V HN 0.202 nan 8.190 nan 0.000 0.447 218 N N 0.078 118.547 118.700 -0.386 0.000 2.166 218 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 218 N C 1.842 177.276 175.510 -0.127 0.000 1.019 218 N CA 1.336 54.284 53.050 -0.170 0.000 0.856 218 N CB -0.300 38.124 38.487 -0.105 0.000 0.993 218 N HN 0.513 nan 8.380 nan 0.000 0.426 219 K N 0.773 121.066 120.400 -0.178 0.000 2.026 219 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 219 K C 1.869 178.412 176.600 -0.095 0.000 1.048 219 K CA 1.295 57.514 56.287 -0.113 0.000 0.929 219 K CB -0.036 32.397 32.500 -0.111 0.000 0.713 219 K HN 0.092 nan 8.250 nan 0.000 0.439 220 A N 0.050 122.737 122.820 -0.222 0.000 1.929 220 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 220 A C 1.488 179.165 177.584 0.154 0.000 1.176 220 A CA 0.951 52.919 52.037 -0.116 0.000 0.628 220 A CB -0.576 18.189 19.000 -0.391 0.000 0.816 220 A HN 0.487 nan 8.150 nan 0.000 0.444 221 W N -1.206 120.023 121.300 -0.118 0.000 2.942 221 W HA 0.353 5.013 4.660 -0.000 0.000 0.263 221 W C 1.566 178.077 176.519 -0.014 0.000 1.296 221 W CA 0.232 57.570 57.345 -0.011 0.000 1.504 221 W CB -0.889 28.581 29.460 0.017 0.000 1.096 221 W HN 0.590 nan 8.180 nan 0.000 0.639 222 G N 1.378 110.280 108.800 0.170 0.000 2.198 222 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.257 222 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.257 222 G C 0.362 175.311 174.900 0.081 0.000 1.042 222 G CA 0.677 45.830 45.100 0.089 0.000 0.791 222 G HN 0.249 nan 8.290 nan 0.000 0.502 223 T N -2.885 111.733 114.554 0.107 0.000 2.910 223 T HA 0.762 5.112 4.350 -0.000 0.000 0.279 223 T C 0.345 175.063 174.700 0.031 0.000 0.989 223 T CA -0.668 61.480 62.100 0.080 0.000 0.968 223 T CB 1.986 70.947 68.868 0.155 0.000 1.135 223 T HN -0.018 nan 8.240 nan 0.000 0.562 224 K N 1.217 121.628 120.400 0.018 0.000 3.045 224 K HA 0.335 4.655 4.320 -0.000 0.000 0.211 224 K C -0.275 176.324 176.600 -0.002 0.000 1.141 224 K CA -0.319 55.968 56.287 0.000 0.000 1.036 224 K CB -0.063 32.435 32.500 -0.003 0.000 0.851 224 K HN 0.584 nan 8.250 nan 0.000 0.462 225 L N 1.484 122.710 121.223 0.005 0.000 2.559 225 L HA 0.033 4.373 4.340 -0.000 0.000 0.274 225 L C 1.504 178.365 176.870 -0.015 0.000 1.205 225 L CA -0.113 54.729 54.840 0.003 0.000 0.907 225 L CB 0.185 42.252 42.059 0.013 0.000 1.153 225 L HN 0.114 nan 8.230 nan 0.000 0.490 226 I N 1.558 122.121 120.570 -0.010 0.000 3.728 226 I HA 0.070 4.240 4.170 -0.000 0.000 0.307 226 I C 0.719 176.827 176.117 -0.015 0.000 1.276 226 I CA 0.688 61.979 61.300 -0.014 0.000 1.285 226 I CB 0.357 38.352 38.000 -0.009 0.000 1.038 226 I HN 0.585 nan 8.210 nan 0.000 0.445 227 S N -1.078 114.614 115.700 -0.013 0.000 2.547 227 S HA 0.303 4.772 4.470 -0.000 0.000 0.270 227 S C 0.514 175.105 174.600 -0.016 0.000 1.150 227 S CA -0.590 57.602 58.200 -0.014 0.000 0.850 227 S CB 0.969 64.165 63.200 -0.006 0.000 1.118 227 S HN 0.238 nan 8.310 nan 0.000 0.461 228 E N 1.917 122.102 120.200 -0.025 0.000 2.265 228 E HA -0.041 4.308 4.350 -0.000 0.000 0.196 228 E C 1.303 177.898 176.600 -0.009 0.000 0.996 228 E CA 0.905 57.286 56.400 -0.032 0.000 0.832 228 E CB -0.185 29.489 29.700 -0.043 0.000 0.756 228 E HN 0.578 nan 8.360 nan 0.000 0.491 229 L N 0.275 121.499 121.223 0.001 0.000 2.376 229 L HA -0.057 4.282 4.340 -0.000 0.000 0.219 229 L C 2.294 179.183 176.870 0.031 0.000 1.133 229 L CA 0.349 55.199 54.840 0.016 0.000 0.816 229 L CB -0.211 41.857 42.059 0.015 0.000 0.933 229 L HN 0.122 nan 8.230 nan 0.000 0.449 230 A N -0.023 122.816 122.820 0.031 0.000 2.167 230 A HA 0.089 4.409 4.320 -0.000 0.000 0.214 230 A C 1.173 178.811 177.584 0.089 0.000 1.151 230 A CA 0.112 52.175 52.037 0.044 0.000 0.735 230 A CB -0.411 18.607 19.000 0.030 0.000 0.802 230 A HN 0.295 nan 8.150 nan 0.000 0.467 231 I N 1.448 122.085 120.570 0.111 0.000 2.406 231 I HA 0.230 4.399 4.170 -0.000 0.000 0.293 231 I C -0.516 175.740 176.117 0.232 0.000 1.101 231 I CA 0.453 61.887 61.300 0.223 0.000 1.334 231 I CB 0.007 38.076 38.000 0.115 0.000 1.421 231 I HN 0.173 nan 8.210 nan 0.000 0.513 232 L N 7.992 129.387 121.223 0.286 0.000 2.409 232 L HA 0.613 4.952 4.340 -0.000 0.000 0.255 232 L C -2.313 174.623 176.870 0.109 0.000 1.027 232 L CA -1.865 53.089 54.840 0.191 0.000 0.834 232 L CB 2.417 44.519 42.059 0.071 0.000 1.426 232 L HN 0.302 nan 8.230 nan 0.000 0.411 233 P HA 0.222 nan 4.420 nan 0.000 0.275 233 P C -2.702 174.282 177.300 -0.527 0.000 1.266 233 P CA -1.488 61.164 63.100 -0.747 0.000 0.793 233 P CB -0.630 30.513 31.700 -0.928 0.000 1.074 234 P HA -0.041 nan 4.420 nan 0.000 0.262 234 P C 1.110 178.343 177.300 -0.113 0.000 1.182 234 P CA 0.578 63.394 63.100 -0.475 0.000 0.761 234 P CB -0.003 31.158 31.700 -0.897 0.000 0.795 235 S N 1.087 116.749 115.700 -0.064 0.000 2.387 235 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 235 S C 0.683 175.276 174.600 -0.011 0.000 1.026 235 S CA 0.768 58.961 58.200 -0.013 0.000 0.972 235 S CB -0.199 62.985 63.200 -0.027 0.000 0.814 235 S HN 0.462 nan 8.310 nan 0.000 0.477 236 D N 0.645 121.054 120.400 0.014 0.000 2.440 236 D HA 0.492 5.132 4.640 -0.000 0.000 0.252 236 D C 0.990 177.363 176.300 0.122 0.000 1.180 236 D CA -0.285 53.743 54.000 0.047 0.000 0.894 236 D CB 1.156 41.985 40.800 0.048 0.000 1.111 236 D HN 0.115 nan 8.370 nan 0.000 0.544 237 G N 2.895 111.780 108.800 0.142 0.000 2.422 237 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 237 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 237 G C 1.119 176.198 174.900 0.298 0.000 1.146 237 G CA 0.771 46.050 45.100 0.298 0.000 0.769 237 G HN 0.575 nan 8.290 nan 0.000 0.547 238 E N -0.252 120.050 120.200 0.171 0.000 2.047 238 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 238 E C 2.394 179.083 176.600 0.147 0.000 0.987 238 E CA 1.079 57.559 56.400 0.133 0.000 0.799 238 E CB -0.222 29.527 29.700 0.081 0.000 0.752 238 E HN 0.478 nan 8.360 nan 0.000 0.449 239 Q N 0.119 120.004 119.800 0.141 0.000 2.084 239 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 239 Q C 2.056 178.158 176.000 0.170 0.000 0.978 239 Q CA 1.417 57.294 55.803 0.122 0.000 0.844 239 Q CB -0.389 28.404 28.738 0.091 0.000 0.898 239 Q HN 0.394 nan 8.270 nan 0.000 0.426 240 F N 1.012 121.019 119.950 0.094 0.000 2.171 240 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 240 F C 1.966 177.906 175.800 0.234 0.000 1.090 240 F CA 1.166 59.239 58.000 0.120 0.000 1.293 240 F CB -0.110 38.919 39.000 0.049 0.000 1.013 240 F HN 0.051 nan 8.300 nan 0.000 0.486 241 L N -0.741 120.667 121.223 0.309 0.000 2.217 241 L HA -0.173 4.166 4.340 -0.000 0.000 0.211 241 L C 2.362 179.315 176.870 0.137 0.000 1.107 241 L CA 0.747 55.689 54.840 0.169 0.000 0.783 241 L CB -0.448 41.703 42.059 0.153 0.000 0.919 241 L HN 0.248 nan 8.230 nan 0.000 0.442 242 M N 0.226 119.919 119.600 0.156 0.000 2.134 242 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 242 M C 1.353 177.769 176.300 0.192 0.000 1.076 242 M CA 1.792 57.179 55.300 0.146 0.000 1.143 242 M CB -0.067 32.580 32.600 0.079 0.000 1.346 242 M HN 0.416 nan 8.290 nan 0.000 0.421 243 N N -2.003 116.729 118.700 0.053 0.000 1.952 243 N HA 0.064 4.803 4.740 -0.000 0.000 0.228 243 N C 1.160 176.476 175.510 -0.324 0.000 1.398 243 N CA 0.610 53.544 53.050 -0.193 0.000 0.817 243 N CB -0.903 37.500 38.487 -0.140 0.000 1.101 243 N HN 0.164 nan 8.380 nan 0.000 0.498 244 G N 1.200 109.867 108.800 -0.223 0.000 2.442 244 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 244 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 244 G C 1.259 175.819 174.900 -0.567 0.000 1.141 244 G CA 1.240 46.173 45.100 -0.278 0.000 0.763 244 G HN 0.540 nan 8.290 nan 0.000 0.554 245 Y N 0.267 120.016 120.300 -0.918 0.000 2.384 245 Y HA 0.115 4.664 4.550 -0.001 0.000 0.289 245 Y C 2.078 177.802 175.900 -0.294 0.000 1.152 245 Y CA 0.592 58.242 58.100 -0.751 0.000 1.258 245 Y CB -0.405 37.717 38.460 -0.564 0.000 0.979 245 Y HN 0.125 nan 8.280 nan 0.000 0.549 246 L N 0.797 121.552 121.223 -0.781 0.000 2.395 246 L HA 0.011 4.351 4.340 -0.000 0.000 0.218 246 L C 1.422 178.155 176.870 -0.227 0.000 1.130 246 L CA 0.348 54.870 54.840 -0.531 0.000 0.826 246 L CB -0.504 41.193 42.059 -0.605 0.000 0.941 246 L HN 0.337 nan 8.230 nan 0.000 0.451 247 S N -1.105 114.490 115.700 -0.174 0.000 2.645 247 S HA 0.118 4.587 4.470 -0.000 0.000 0.266 247 S C 0.875 175.478 174.600 0.005 0.000 1.258 247 S CA -0.632 57.534 58.200 -0.056 0.000 0.990 247 S CB 1.320 64.506 63.200 -0.023 0.000 0.967 247 S HN 0.054 nan 8.310 nan 0.000 0.556 248 M N 0.942 120.583 119.600 0.068 0.000 2.117 248 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 248 M C 1.732 178.078 176.300 0.076 0.000 1.065 248 M CA 1.632 57.031 55.300 0.165 0.000 1.114 248 M CB -1.327 31.453 32.600 0.301 0.000 1.361 248 M HN 0.893 nan 8.290 nan 0.000 0.408 249 Y N -0.066 120.004 120.300 -0.384 0.000 2.165 249 Y HA -0.077 4.473 4.550 -0.001 0.000 0.286 249 Y C 2.006 177.784 175.900 -0.205 0.000 1.155 249 Y CA 2.084 59.640 58.100 -0.906 0.000 1.164 249 Y CB -1.063 36.760 38.460 -1.061 0.000 0.978 249 Y HN 0.247 nan 8.280 nan 0.000 0.513 250 G N 0.237 108.931 108.800 -0.176 0.000 2.418 250 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.217 250 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.217 250 G C 1.667 176.610 174.900 0.071 0.000 1.158 250 G CA 0.998 46.097 45.100 -0.002 0.000 0.771 250 G HN 0.421 nan 8.290 nan 0.000 0.545 251 K N 0.209 120.651 120.400 0.070 0.000 2.057 251 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 251 K C 2.143 178.860 176.600 0.196 0.000 1.049 251 K CA 1.282 57.650 56.287 0.135 0.000 0.931 251 K CB -0.100 32.487 32.500 0.144 0.000 0.714 251 K HN 0.114 nan 8.250 nan 0.000 0.440 252 D N 0.033 120.602 120.400 0.282 0.000 2.097 252 D HA -0.173 4.466 4.640 -0.000 0.000 0.195 252 D C 1.753 178.238 176.300 0.308 0.000 0.989 252 D CA 1.053 55.368 54.000 0.526 0.000 0.827 252 D CB -0.276 41.066 40.800 0.904 0.000 0.966 252 D HN 0.158 nan 8.370 nan 0.000 0.456 253 Y N 1.310 121.583 120.300 -0.044 0.000 2.145 253 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 253 Y C 2.190 177.989 175.900 -0.169 0.000 1.145 253 Y CA 1.339 59.222 58.100 -0.362 0.000 1.148 253 Y CB -0.418 37.478 38.460 -0.940 0.000 0.981 253 Y HN -0.087 nan 8.280 nan 0.000 0.507 254 L N 0.055 121.203 121.223 -0.125 0.000 2.141 254 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 254 L C 2.537 179.382 176.870 -0.042 0.000 1.094 254 L CA 1.658 56.467 54.840 -0.052 0.000 0.763 254 L CB -0.539 41.607 42.059 0.144 0.000 0.908 254 L HN 0.324 nan 8.230 nan 0.000 0.437 255 E N -0.176 120.012 120.200 -0.021 0.000 2.047 255 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 255 E C 2.094 178.603 176.600 -0.151 0.000 0.987 255 E CA 1.483 57.882 56.400 -0.002 0.000 0.799 255 E CB -0.196 29.595 29.700 0.151 0.000 0.752 255 E HN 0.499 nan 8.360 nan 0.000 0.449 256 W N 0.287 121.195 121.300 -0.652 0.000 2.381 256 W HA -0.251 4.409 4.660 -0.001 0.000 0.301 256 W C 1.978 178.231 176.519 -0.443 0.000 1.205 256 W CA 1.732 58.551 57.345 -0.878 0.000 1.285 256 W CB -0.642 28.113 29.460 -1.175 0.000 1.133 256 W HN 0.169 nan 8.180 nan 0.000 0.521 257 Y N 1.396 121.297 120.300 -0.666 0.000 2.097 257 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 257 Y C 2.853 178.545 175.900 -0.346 0.000 1.152 257 Y CA 2.958 60.613 58.100 -0.742 0.000 1.136 257 Y CB -1.095 36.948 38.460 -0.695 0.000 0.975 257 Y HN 0.208 nan 8.280 nan 0.000 0.498 258 Q N -0.704 119.035 119.800 -0.101 0.000 2.172 258 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 258 Q C 2.384 178.333 176.000 -0.086 0.000 0.964 258 Q CA 1.226 57.009 55.803 -0.034 0.000 0.855 258 Q CB -0.543 28.240 28.738 0.075 0.000 0.918 258 Q HN 0.581 nan 8.270 nan 0.000 0.444 259 G N 1.554 110.274 108.800 -0.133 0.000 2.475 259 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 259 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 259 G C 1.348 176.145 174.900 -0.172 0.000 1.125 259 G CA 0.839 45.880 45.100 -0.097 0.000 0.755 259 G HN 0.342 nan 8.290 nan 0.000 0.565 260 I N 0.858 121.216 120.570 -0.353 0.000 2.286 260 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 260 I C 2.776 178.778 176.117 -0.192 0.000 1.115 260 I CA 0.832 61.938 61.300 -0.323 0.000 1.392 260 I CB -1.075 36.643 38.000 -0.469 0.000 1.065 260 I HN 0.198 nan 8.210 nan 0.000 0.418 261 L N 0.012 121.118 121.223 -0.195 0.000 2.156 261 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 261 L C 2.401 179.276 176.870 0.008 0.000 1.095 261 L CA 1.006 55.787 54.840 -0.100 0.000 0.770 261 L CB -0.531 41.470 42.059 -0.097 0.000 0.914 261 L HN 0.246 nan 8.230 nan 0.000 0.439 262 E N 0.174 120.372 120.200 -0.003 0.000 2.072 262 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 262 E C 1.893 178.483 176.600 -0.017 0.000 0.985 262 E CA 0.955 57.356 56.400 0.002 0.000 0.801 262 E CB -0.001 29.703 29.700 0.006 0.000 0.750 262 E HN 0.418 nan 8.360 nan 0.000 0.452 263 N N 0.177 118.872 118.700 -0.007 0.000 2.188 263 N HA -0.166 4.573 4.740 -0.000 0.000 0.184 263 N C 1.669 177.184 175.510 0.009 0.000 1.018 263 N CA 1.072 54.124 53.050 0.003 0.000 0.858 263 N CB -0.394 38.100 38.487 0.011 0.000 0.989 263 N HN 0.224 nan 8.380 nan 0.000 0.426 264 H N 0.410 119.425 119.070 -0.092 0.000 2.353 264 H HA 0.022 4.578 4.556 -0.000 0.000 0.300 264 H C 1.574 176.848 175.328 -0.090 0.000 1.090 264 H CA 1.909 57.899 56.048 -0.096 0.000 1.327 264 H CB -0.352 29.343 29.762 -0.110 0.000 1.383 264 H HN 0.077 nan 8.280 nan 0.000 0.508 265 T N 0.460 114.925 114.554 -0.149 0.000 2.746 265 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 265 T C 1.884 176.442 174.700 -0.236 0.000 1.039 265 T CA 1.772 63.705 62.100 -0.279 0.000 1.142 265 T CB -0.065 68.601 68.868 -0.337 0.000 0.866 265 T HN 0.377 nan 8.240 nan 0.000 0.444 266 K N 0.429 120.742 120.400 -0.145 0.000 2.097 266 K HA 0.025 4.345 4.320 -0.000 0.000 0.205 266 K C 2.151 178.706 176.600 -0.075 0.000 1.050 266 K CA 0.702 56.936 56.287 -0.089 0.000 0.938 266 K CB -0.321 32.150 32.500 -0.049 0.000 0.718 266 K HN 0.120 nan 8.250 nan 0.000 0.442 267 L N 2.022 123.185 121.223 -0.101 0.000 1.976 267 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 267 L C 2.051 178.862 176.870 -0.098 0.000 1.071 267 L CA 1.543 56.326 54.840 -0.095 0.000 0.746 267 L CB -0.548 41.445 42.059 -0.110 0.000 0.890 267 L HN 0.271 nan 8.230 nan 0.000 0.432 268 I N -2.755 117.706 120.570 -0.180 0.000 2.361 268 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 268 I C 2.225 178.361 176.117 0.032 0.000 1.133 268 I CA 1.424 62.698 61.300 -0.044 0.000 1.413 268 I CB -1.433 36.516 38.000 -0.086 0.000 1.073 268 I HN 0.252 nan 8.210 nan 0.000 0.424 269 G N 0.987 109.761 108.800 -0.044 0.000 2.402 269 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.216 269 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.216 269 G C 1.583 176.556 174.900 0.121 0.000 1.162 269 G CA 0.867 45.970 45.100 0.004 0.000 0.777 269 G HN 0.611 nan 8.290 nan 0.000 0.539 270 E N 0.196 120.451 120.200 0.091 0.000 2.051 270 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 270 E C 2.539 179.194 176.600 0.092 0.000 0.991 270 E CA 0.727 57.187 56.400 0.101 0.000 0.799 270 E CB -0.219 29.505 29.700 0.039 0.000 0.748 270 E HN 0.456 nan 8.360 nan 0.000 0.449 271 L N 0.463 121.732 121.223 0.077 0.000 2.017 271 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 271 L C 2.779 179.730 176.870 0.135 0.000 1.073 271 L CA 1.205 56.102 54.840 0.095 0.000 0.745 271 L CB -0.595 41.511 42.059 0.078 0.000 0.894 271 L HN 0.208 nan 8.230 nan 0.000 0.432 272 A N -0.822 122.085 122.820 0.145 0.000 1.877 272 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 272 A C 2.163 179.709 177.584 -0.064 0.000 1.186 272 A CA 1.400 53.419 52.037 -0.031 0.000 0.620 272 A CB -0.804 18.141 19.000 -0.092 0.000 0.822 272 A HN 0.412 nan 8.150 nan 0.000 0.443 273 H N 0.145 119.260 119.070 0.074 0.000 2.353 273 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 273 H C 1.963 177.307 175.328 0.027 0.000 1.090 273 H CA 1.703 57.791 56.048 0.068 0.000 1.327 273 H CB -0.284 29.504 29.762 0.044 0.000 1.383 273 H HN 0.429 nan 8.280 nan 0.000 0.508 274 N N 0.668 119.428 118.700 0.100 0.000 2.104 274 N HA -0.102 4.638 4.740 -0.000 0.000 0.190 274 N C 2.011 177.494 175.510 -0.045 0.000 1.024 274 N CA 1.337 54.404 53.050 0.028 0.000 0.853 274 N CB -0.329 38.163 38.487 0.009 0.000 1.008 274 N HN 0.350 nan 8.380 nan 0.000 0.424 275 A N -0.872 121.835 122.820 -0.188 0.000 1.975 275 A HA 0.131 4.451 4.320 -0.000 0.000 0.215 275 A C 1.614 179.001 177.584 -0.328 0.000 1.170 275 A CA 0.629 52.431 52.037 -0.392 0.000 0.656 275 A CB -0.346 18.210 19.000 -0.740 0.000 0.821 275 A HN 0.280 nan 8.150 nan 0.000 0.449 276 F N -0.978 119.043 119.950 0.118 0.000 2.694 276 F HA 0.084 4.610 4.527 -0.001 0.000 0.292 276 F C 1.695 177.622 175.800 0.212 0.000 1.121 276 F CA -0.178 57.947 58.000 0.208 0.000 1.352 276 F CB 0.193 39.231 39.000 0.063 0.000 1.107 276 F HN 0.045 nan 8.300 nan 0.000 0.597 277 D N 0.714 121.293 120.400 0.297 0.000 2.087 277 D HA -0.183 4.457 4.640 -0.000 0.000 0.192 277 D C 2.425 178.807 176.300 0.137 0.000 0.993 277 D CA 2.506 56.638 54.000 0.221 0.000 0.828 277 D CB -0.888 40.029 40.800 0.195 0.000 0.968 277 D HN 0.244 nan 8.370 nan 0.000 0.448 278 T N -2.162 112.442 114.554 0.083 0.000 2.867 278 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 278 T C 1.950 176.630 174.700 -0.033 0.000 1.057 278 T CA 1.721 63.834 62.100 0.021 0.000 1.136 278 T CB -0.582 68.285 68.868 -0.001 0.000 0.874 278 T HN 0.022 nan 8.240 nan 0.000 0.466 279 T N 0.854 115.373 114.554 -0.059 0.000 2.814 279 T HA 0.236 4.586 4.350 -0.000 0.000 0.254 279 T C 1.349 175.788 174.700 -0.436 0.000 1.037 279 T CA 0.800 62.716 62.100 -0.306 0.000 1.143 279 T CB -0.338 68.231 68.868 -0.497 0.000 0.866 279 T HN 0.441 nan 8.240 nan 0.000 0.431 280 F N 0.910 120.895 119.950 0.058 0.000 2.505 280 F HA 0.269 4.795 4.527 -0.000 0.000 0.289 280 F C 1.115 176.931 175.800 0.026 0.000 1.101 280 F CA -0.301 57.717 58.000 0.030 0.000 1.446 280 F CB -0.479 38.528 39.000 0.011 0.000 1.123 280 F HN -0.009 nan 8.300 nan 0.000 0.564 281 Q N 0.717 120.639 119.800 0.204 0.000 2.453 281 Q HA -0.154 4.186 4.340 -0.000 0.000 0.294 281 Q C -0.671 175.401 176.000 0.120 0.000 1.295 281 Q CA 0.374 56.256 55.803 0.133 0.000 0.853 281 Q CB -2.019 26.765 28.738 0.076 0.000 1.193 281 Q HN 0.367 nan 8.270 nan 0.000 0.461 282 V N -4.451 115.538 119.914 0.124 0.000 3.019 282 V HA 0.853 4.973 4.120 -0.000 0.000 0.317 282 V C -2.318 173.787 176.094 0.017 0.000 1.094 282 V CA -2.551 59.780 62.300 0.052 0.000 1.000 282 V CB 1.620 33.445 31.823 0.003 0.000 1.060 282 V HN -0.085 nan 8.190 nan 0.000 0.443 283 P HA 0.528 nan 4.420 nan 0.000 0.272 283 P C -0.908 176.320 177.300 -0.119 0.000 1.223 283 P CA -0.002 63.079 63.100 -0.030 0.000 0.784 283 P CB 0.425 32.095 31.700 -0.049 0.000 0.923 284 I N 0.973 121.487 120.570 -0.093 0.000 2.498 284 I HA 0.641 4.811 4.170 -0.000 0.000 0.290 284 I C 0.511 176.560 176.117 -0.113 0.000 1.032 284 I CA -0.299 60.889 61.300 -0.186 0.000 1.073 284 I CB 2.316 40.156 38.000 -0.267 0.000 1.251 284 I HN 0.385 nan 8.210 nan 0.000 0.426 285 G N 3.464 112.184 108.800 -0.133 0.000 2.680 285 G HA2 0.881 4.841 3.960 -0.000 0.000 0.290 285 G HA3 0.881 4.841 3.960 -0.000 0.000 0.290 285 G C -1.783 173.288 174.900 0.286 0.000 1.355 285 G CA -0.611 44.534 45.100 0.075 0.000 0.903 285 G HN 0.787 nan 8.290 nan 0.000 0.474 286 A N -0.013 123.050 122.820 0.405 0.000 2.532 286 A HA 0.902 5.222 4.320 -0.000 0.000 0.290 286 A C -0.712 177.119 177.584 0.411 0.000 1.143 286 A CA -0.809 51.451 52.037 0.372 0.000 0.728 286 A CB 1.704 20.853 19.000 0.247 0.000 1.317 286 A HN 0.585 nan 8.150 nan 0.000 0.414 287 K N 0.442 120.999 120.400 0.262 0.000 2.259 287 K HA 0.672 4.991 4.320 -0.000 0.000 0.252 287 K C -1.385 175.365 176.600 0.250 0.000 0.936 287 K CA -0.250 56.150 56.287 0.188 0.000 0.810 287 K CB 2.195 34.705 32.500 0.018 0.000 1.143 287 K HN 0.546 nan 8.250 nan 0.000 0.427 288 I N 2.290 123.001 120.570 0.235 0.000 2.354 288 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 288 I C 0.135 176.458 176.117 0.345 0.000 0.989 288 I CA -0.751 60.715 61.300 0.278 0.000 1.188 288 I CB 1.772 39.835 38.000 0.105 0.000 1.342 288 I HN 0.704 nan 8.210 nan 0.000 0.457 289 A N 4.363 127.451 122.820 0.447 0.000 2.407 289 A HA 0.534 4.853 4.320 -0.000 0.000 0.248 289 A C 0.642 178.436 177.584 0.350 0.000 1.082 289 A CA -0.226 52.030 52.037 0.366 0.000 0.785 289 A CB 0.282 19.551 19.000 0.448 0.000 1.020 289 A HN 0.900 nan 8.150 nan 0.000 0.489 290 G N 0.841 109.682 108.800 0.068 0.000 3.058 290 G HA2 0.463 4.423 3.960 -0.000 0.000 0.316 290 G HA3 0.463 4.423 3.960 -0.000 0.000 0.316 290 G C -0.367 174.644 174.900 0.185 0.000 0.951 290 G CA -0.226 44.885 45.100 0.018 0.000 1.535 290 G HN 0.659 nan 8.290 nan 0.000 0.500 291 V N 3.596 123.581 119.914 0.118 0.000 2.223 291 V HA 0.078 4.197 4.120 -0.000 0.000 0.249 291 V C 1.173 177.085 176.094 -0.303 0.000 1.233 291 V CA -0.319 61.697 62.300 -0.473 0.000 1.131 291 V CB -1.034 30.523 31.823 -0.443 0.000 1.298 291 V HN 0.929 nan 8.190 nan 0.000 0.498 292 H N 0.854 119.911 119.070 -0.022 0.000 2.548 292 H HA 0.105 4.661 4.556 -0.001 0.000 0.268 292 H C 0.595 176.112 175.328 0.315 0.000 0.975 292 H CA -0.510 55.650 56.048 0.187 0.000 1.195 292 H CB -0.146 29.734 29.762 0.197 0.000 1.397 292 H HN 0.653 nan 8.280 nan 0.000 0.572 293 W N 0.282 121.534 121.300 -0.079 0.000 2.283 293 W HA 0.418 5.078 4.660 -0.000 0.000 0.341 293 W C 0.046 176.631 176.519 0.110 0.000 1.206 293 W CA -1.163 56.218 57.345 0.061 0.000 1.294 293 W CB 0.908 30.344 29.460 -0.041 0.000 1.154 293 W HN -0.062 nan 8.180 nan 0.000 0.613 294 Q N 0.054 120.047 119.800 0.321 0.000 2.439 294 Q HA -0.359 3.981 4.340 -0.000 0.000 0.247 294 Q C 0.627 176.669 176.000 0.071 0.000 0.899 294 Q CA 1.729 57.636 55.803 0.173 0.000 1.201 294 Q CB -2.794 25.991 28.738 0.079 0.000 1.608 294 Q HN 0.923 nan 8.270 nan 0.000 0.563 295 Y N 2.230 122.554 120.300 0.039 0.000 2.114 295 Y HA -0.175 4.375 4.550 -0.001 0.000 0.284 295 Y C 1.650 177.398 175.900 -0.254 0.000 1.143 295 Y CA 2.304 60.393 58.100 -0.018 0.000 1.135 295 Y CB 0.137 38.679 38.460 0.136 0.000 0.980 295 Y HN 0.440 nan 8.280 nan 0.000 0.499 296 N N 0.154 118.944 118.700 0.151 0.000 2.380 296 N HA -0.007 4.733 4.740 -0.000 0.000 0.255 296 N C -0.967 174.392 175.510 -0.251 0.000 1.158 296 N CA -0.124 52.916 53.050 -0.017 0.000 0.878 296 N CB -0.881 37.742 38.487 0.226 0.000 1.138 296 N HN 0.245 nan 8.380 nan 0.000 0.509 297 N N 2.625 121.039 118.700 -0.476 0.000 2.468 297 N HA 0.069 4.809 4.740 -0.000 0.000 0.265 297 N C -1.297 173.911 175.510 -0.504 0.000 1.199 297 N CA -1.189 51.291 53.050 -0.949 0.000 0.928 297 N CB 1.459 39.576 38.487 -0.617 0.000 1.059 297 N HN 0.082 nan 8.380 nan 0.000 0.467 298 P HA -0.115 nan 4.420 nan 0.000 0.217 298 P C 0.963 178.190 177.300 -0.122 0.000 1.150 298 P CA 1.587 64.575 63.100 -0.186 0.000 0.832 298 P CB 0.094 31.731 31.700 -0.104 0.000 0.787 299 T N -1.338 113.142 114.554 -0.122 0.000 2.976 299 T HA 0.056 4.406 4.350 -0.000 0.000 0.257 299 T C 1.393 176.068 174.700 -0.042 0.000 1.051 299 T CA 0.333 62.402 62.100 -0.051 0.000 1.141 299 T CB -0.832 68.025 68.868 -0.018 0.000 0.881 299 T HN 0.232 nan 8.240 nan 0.000 0.461 300 I N 0.398 120.912 120.570 -0.094 0.000 2.697 300 I HA 0.479 4.649 4.170 -0.000 0.000 0.279 300 I C -3.020 172.989 176.117 -0.181 0.000 1.171 300 I CA -3.019 58.227 61.300 -0.091 0.000 1.135 300 I CB 1.334 39.307 38.000 -0.045 0.000 1.445 300 I HN -0.185 nan 8.210 nan 0.000 0.541 301 P HA -0.038 nan 4.420 nan 0.000 0.263 301 P C -0.229 176.881 177.300 -0.318 0.000 1.195 301 P CA 0.729 63.615 63.100 -0.356 0.000 0.762 301 P CB 0.165 31.689 31.700 -0.292 0.000 0.799 302 H N 1.532 120.461 119.070 -0.235 0.000 2.713 302 H HA -0.149 4.407 4.556 -0.000 0.000 0.311 302 H C 1.548 176.770 175.328 -0.176 0.000 1.175 302 H CA 0.932 56.853 56.048 -0.212 0.000 1.143 302 H CB -2.202 27.418 29.762 -0.237 0.000 1.434 302 H HN 0.729 nan 8.280 nan 0.000 0.418 303 G N -0.266 108.480 108.800 -0.091 0.000 2.498 303 G HA2 0.027 3.986 3.960 -0.000 0.000 0.219 303 G HA3 0.027 3.986 3.960 -0.000 0.000 0.219 303 G C 1.547 176.378 174.900 -0.114 0.000 1.119 303 G CA 0.879 45.928 45.100 -0.085 0.000 0.766 303 G HN 0.602 nan 8.290 nan 0.000 0.552 304 A N 0.120 122.833 122.820 -0.178 0.000 2.063 304 A HA 0.336 4.656 4.320 -0.000 0.000 0.211 304 A C 1.982 179.396 177.584 -0.284 0.000 1.177 304 A CA 1.016 52.867 52.037 -0.310 0.000 0.759 304 A CB 0.120 18.628 19.000 -0.821 0.000 0.857 304 A HN 0.338 nan 8.150 nan 0.000 0.468 305 E N 0.534 120.630 120.200 -0.172 0.000 2.028 305 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 305 E C 1.853 178.432 176.600 -0.036 0.000 0.984 305 E CA 1.272 57.651 56.400 -0.036 0.000 0.800 305 E CB -0.111 29.653 29.700 0.107 0.000 0.758 305 E HN 0.502 nan 8.360 nan 0.000 0.448 306 K N 0.165 120.549 120.400 -0.027 0.000 2.020 306 K HA -0.148 4.171 4.320 -0.000 0.000 0.212 306 K C -0.749 175.874 176.600 0.037 0.000 1.050 306 K CA 1.560 57.877 56.287 0.050 0.000 0.929 306 K CB -0.964 31.603 32.500 0.112 0.000 0.714 306 K HN 0.084 nan 8.250 nan 0.000 0.443 307 P HA -0.107 nan 4.420 nan 0.000 0.222 307 P C 0.655 177.958 177.300 0.005 0.000 1.147 307 P CA 1.198 63.984 63.100 -0.523 0.000 0.790 307 P CB 0.079 31.368 31.700 -0.684 0.000 0.780 308 A N -0.953 121.850 122.820 -0.028 0.000 2.167 308 A HA 0.335 4.654 4.320 -0.000 0.000 0.214 308 A C 1.803 179.320 177.584 -0.111 0.000 1.151 308 A CA 1.272 53.256 52.037 -0.087 0.000 0.735 308 A CB -1.157 17.691 19.000 -0.253 0.000 0.802 308 A HN 0.266 nan 8.150 nan 0.000 0.467 309 G N -2.816 106.034 108.800 0.083 0.000 2.184 309 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.206 309 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.206 309 G C -0.180 174.807 174.900 0.145 0.000 0.995 309 G CA 0.060 45.248 45.100 0.148 0.000 0.651 309 G HN 0.350 nan 8.290 nan 0.000 0.511 310 Y N 2.035 122.347 120.300 0.020 0.000 2.691 310 Y HA 0.433 4.983 4.550 -0.000 0.000 0.338 310 Y C 1.184 176.877 175.900 -0.346 0.000 1.148 310 Y CA -1.294 56.655 58.100 -0.253 0.000 1.430 310 Y CB -0.077 38.186 38.460 -0.328 0.000 1.303 310 Y HN 0.320 nan 8.280 nan 0.000 0.499 311 N N 0.960 119.610 118.700 -0.083 0.000 2.482 311 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 311 N C -0.699 174.707 175.510 -0.174 0.000 1.039 311 N CA 0.522 53.514 53.050 -0.097 0.000 0.884 311 N CB 0.605 39.115 38.487 0.039 0.000 1.113 311 N HN 0.417 nan 8.380 nan 0.000 0.440 312 D N -0.316 119.993 120.400 -0.151 0.000 2.358 312 D HA 0.126 4.766 4.640 -0.000 0.000 0.253 312 D C 0.087 176.353 176.300 -0.056 0.000 1.288 312 D CA -0.565 53.390 54.000 -0.075 0.000 0.950 312 D CB 0.150 40.963 40.800 0.022 0.000 1.197 312 D HN 0.036 nan 8.370 nan 0.000 0.550 313 Y N 1.588 121.882 120.300 -0.010 0.000 2.224 313 Y HA -0.195 4.355 4.550 -0.001 0.000 0.289 313 Y C 2.613 178.491 175.900 -0.037 0.000 1.146 313 Y CA 1.410 59.468 58.100 -0.070 0.000 1.182 313 Y CB -0.001 38.368 38.460 -0.151 0.000 0.983 313 Y HN 0.378 nan 8.280 nan 0.000 0.524 314 S N -0.902 114.889 115.700 0.151 0.000 2.356 314 S HA -0.274 4.196 4.470 -0.000 0.000 0.223 314 S C 2.060 176.741 174.600 0.135 0.000 1.032 314 S CA 1.487 59.753 58.200 0.111 0.000 1.005 314 S CB -0.549 62.712 63.200 0.103 0.000 0.867 314 S HN 0.601 nan 8.310 nan 0.000 0.449 315 H N -0.186 118.916 119.070 0.054 0.000 2.423 315 H HA -0.027 4.528 4.556 -0.001 0.000 0.297 315 H C 2.187 177.562 175.328 0.079 0.000 1.075 315 H CA 1.512 57.597 56.048 0.062 0.000 1.342 315 H CB -0.136 29.660 29.762 0.056 0.000 1.395 315 H HN 0.397 nan 8.280 nan 0.000 0.530 316 L N 0.898 122.189 121.223 0.115 0.000 2.056 316 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 316 L C 2.335 179.296 176.870 0.153 0.000 1.078 316 L CA 1.197 56.104 54.840 0.112 0.000 0.749 316 L CB -0.555 41.568 42.059 0.106 0.000 0.901 316 L HN 0.222 nan 8.230 nan 0.000 0.433 317 L N -0.783 120.485 121.223 0.076 0.000 2.201 317 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 317 L C 2.042 178.978 176.870 0.110 0.000 1.105 317 L CA 0.784 55.647 54.840 0.039 0.000 0.775 317 L CB -0.740 41.281 42.059 -0.064 0.000 0.913 317 L HN 0.289 nan 8.230 nan 0.000 0.440 318 D N 0.325 120.755 120.400 0.050 0.000 2.144 318 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 318 D C 2.233 178.549 176.300 0.028 0.000 0.984 318 D CA 1.403 55.411 54.000 0.014 0.000 0.834 318 D CB 0.087 40.847 40.800 -0.067 0.000 0.955 318 D HN 0.311 nan 8.370 nan 0.000 0.465 319 A N 0.133 122.974 122.820 0.036 0.000 1.902 319 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 319 A C 2.032 179.644 177.584 0.046 0.000 1.181 319 A CA 0.924 52.971 52.037 0.016 0.000 0.623 319 A CB -0.919 18.085 19.000 0.007 0.000 0.818 319 A HN 0.130 nan 8.150 nan 0.000 0.443 320 F N 0.052 119.996 119.950 -0.010 0.000 2.134 320 F HA -0.122 4.405 4.527 -0.001 0.000 0.299 320 F C 2.289 178.098 175.800 0.015 0.000 1.097 320 F CA 1.944 59.952 58.000 0.013 0.000 1.264 320 F CB -0.197 38.813 39.000 0.015 0.000 1.001 320 F HN 0.148 nan 8.300 nan 0.000 0.479 321 K N 0.712 121.225 120.400 0.189 0.000 2.026 321 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 321 K C 2.282 178.915 176.600 0.053 0.000 1.048 321 K CA 1.823 58.170 56.287 0.101 0.000 0.929 321 K CB -0.632 31.908 32.500 0.067 0.000 0.713 321 K HN 0.221 nan 8.250 nan 0.000 0.439 322 S N -0.519 115.201 115.700 0.033 0.000 2.423 322 S HA -0.018 4.451 4.470 -0.000 0.000 0.231 322 S C 2.029 176.627 174.600 -0.003 0.000 1.014 322 S CA 0.839 59.043 58.200 0.006 0.000 0.965 322 S CB -0.289 62.908 63.200 -0.004 0.000 0.785 322 S HN 0.306 nan 8.310 nan 0.000 0.495 323 A N 1.095 123.914 122.820 -0.002 0.000 2.218 323 A HA 0.339 4.658 4.320 -0.000 0.000 0.209 323 A C 0.854 178.489 177.584 0.084 0.000 1.168 323 A CA 0.159 52.200 52.037 0.006 0.000 0.804 323 A CB -0.568 18.387 19.000 -0.074 0.000 0.834 323 A HN 0.533 nan 8.150 nan 0.000 0.482 324 K N -1.171 119.270 120.400 0.070 0.000 3.162 324 K HA -0.140 4.180 4.320 -0.000 0.000 0.268 324 K C -1.091 175.663 176.600 0.255 0.000 1.062 324 K CA 0.538 56.888 56.287 0.106 0.000 0.769 324 K CB -1.916 30.523 32.500 -0.102 0.000 1.274 324 K HN 0.510 nan 8.250 nan 0.000 0.478 325 L N 0.700 122.032 121.223 0.181 0.000 2.346 325 L HA 0.390 4.730 4.340 -0.000 0.000 0.276 325 L C 0.286 177.322 176.870 0.277 0.000 1.006 325 L CA -1.178 53.768 54.840 0.176 0.000 0.817 325 L CB 1.536 43.608 42.059 0.021 0.000 1.272 325 L HN 0.005 nan 8.230 nan 0.000 0.421 326 D N 1.291 121.813 120.400 0.203 0.000 2.339 326 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 326 D C -0.482 175.976 176.300 0.264 0.000 1.115 326 D CA -0.063 54.041 54.000 0.173 0.000 0.917 326 D CB 2.412 43.260 40.800 0.079 0.000 1.192 326 D HN 0.064 nan 8.370 nan 0.000 0.428 327 V N 1.033 121.027 119.914 0.132 0.000 2.513 327 V HA 0.442 4.562 4.120 -0.000 0.000 0.299 327 V C -0.533 175.632 176.094 0.118 0.000 1.035 327 V CA -0.166 62.152 62.300 0.030 0.000 0.889 327 V CB 1.909 33.515 31.823 -0.362 0.000 0.988 327 V HN 0.533 nan 8.190 nan 0.000 0.440 328 T N 7.404 122.075 114.554 0.195 0.000 2.779 328 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 328 T C -1.083 173.783 174.700 0.277 0.000 0.987 328 T CA -0.014 62.239 62.100 0.255 0.000 0.966 328 T CB 0.965 69.977 68.868 0.240 0.000 0.933 328 T HN 0.503 nan 8.240 nan 0.000 0.442 329 F N 1.564 121.596 119.950 0.137 0.000 2.575 329 F HA 0.760 5.287 4.527 -0.000 0.000 0.330 329 F C 0.438 176.325 175.800 0.146 0.000 1.056 329 F CA -0.651 57.416 58.000 0.112 0.000 0.964 329 F CB 2.168 41.229 39.000 0.101 0.000 1.258 329 F HN 0.515 nan 8.300 nan 0.000 0.484 330 T N -0.117 114.011 114.554 -0.711 0.000 2.762 330 T HA 0.425 4.774 4.350 -0.000 0.000 0.272 330 T C -0.324 174.115 174.700 -0.434 0.000 0.982 330 T CA 0.205 62.067 62.100 -0.397 0.000 1.013 330 T CB 0.689 69.400 68.868 -0.262 0.000 1.309 330 T HN 0.882 nan 8.240 nan 0.000 0.572 331 C N 1.107 120.288 119.300 -0.198 0.000 4.475 331 C HA -0.089 4.370 4.460 -0.000 0.000 0.280 331 C C 1.870 176.796 174.990 -0.107 0.000 1.338 331 C CA -0.104 58.821 59.018 -0.155 0.000 1.893 331 C CB -2.913 24.709 27.740 -0.197 0.000 1.299 331 C HN 0.769 nan 8.230 nan 0.000 0.767 332 L N 1.473 122.660 121.223 -0.059 0.000 2.265 332 L HA -0.109 4.230 4.340 -0.000 0.000 0.215 332 L C 2.600 179.403 176.870 -0.111 0.000 1.117 332 L CA 2.579 57.360 54.840 -0.098 0.000 0.782 332 L CB -0.589 41.398 42.059 -0.121 0.000 0.914 332 L HN 0.754 nan 8.230 nan 0.000 0.441 333 E N -0.527 119.633 120.200 -0.066 0.000 2.479 333 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 333 E C 0.756 177.307 176.600 -0.080 0.000 1.049 333 E CA -0.023 56.336 56.400 -0.068 0.000 0.870 333 E CB 0.119 29.806 29.700 -0.022 0.000 0.944 333 E HN 0.357 nan 8.360 nan 0.000 0.492 334 M N 1.162 120.700 119.600 -0.103 0.000 2.368 334 M HA 0.285 4.764 4.480 -0.000 0.000 0.311 334 M C 0.192 176.435 176.300 -0.094 0.000 1.168 334 M CA -0.374 54.853 55.300 -0.122 0.000 1.044 334 M CB 1.696 34.170 32.600 -0.210 0.000 1.506 334 M HN -0.083 nan 8.290 nan 0.000 0.475 335 T N -2.836 111.670 114.554 -0.081 0.000 2.924 335 T HA 0.434 4.784 4.350 -0.000 0.000 0.291 335 T C -0.835 173.840 174.700 -0.042 0.000 1.045 335 T CA -1.174 60.897 62.100 -0.048 0.000 1.015 335 T CB 1.362 70.215 68.868 -0.026 0.000 1.103 335 T HN 0.403 nan 8.240 nan 0.000 0.496 336 D N 1.454 121.839 120.400 -0.024 0.000 2.389 336 D HA 0.298 4.937 4.640 -0.000 0.000 0.247 336 D C 0.639 176.949 176.300 0.017 0.000 1.128 336 D CA -0.394 53.601 54.000 -0.009 0.000 0.884 336 D CB 1.314 42.109 40.800 -0.007 0.000 1.194 336 D HN 0.401 nan 8.370 nan 0.000 0.441 337 K N 0.632 121.058 120.400 0.042 0.000 2.313 337 K HA 0.188 4.508 4.320 -0.000 0.000 0.215 337 K C 1.370 178.008 176.600 0.064 0.000 1.109 337 K CA 0.581 56.896 56.287 0.047 0.000 0.895 337 K CB -0.538 31.995 32.500 0.055 0.000 1.234 337 K HN 0.598 nan 8.250 nan 0.000 0.463 338 G N 2.580 111.442 108.800 0.102 0.000 2.168 338 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 338 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 338 G C 0.085 175.066 174.900 0.136 0.000 0.997 338 G CA 0.868 46.064 45.100 0.161 0.000 0.708 338 G HN 0.480 nan 8.290 nan 0.000 0.520 339 S N -1.098 114.595 115.700 -0.011 0.000 2.578 339 S HA 0.678 5.148 4.470 -0.000 0.000 0.301 339 S C -0.134 174.154 174.600 -0.519 0.000 1.091 339 S CA -0.855 57.263 58.200 -0.138 0.000 1.032 339 S CB 2.175 65.346 63.200 -0.049 0.000 1.064 339 S HN 1.206 nan 8.310 nan 0.000 0.508 340 Y N 3.446 123.283 120.300 -0.772 0.000 2.597 340 Y HA 0.290 4.840 4.550 -0.001 0.000 0.336 340 Y C -1.347 174.310 175.900 -0.405 0.000 1.216 340 Y CA -0.935 56.635 58.100 -0.883 0.000 1.463 340 Y CB 0.694 38.938 38.460 -0.360 0.000 1.303 340 Y HN 0.582 nan 8.280 nan 0.000 0.576 341 P HA 0.031 nan 4.420 nan 0.000 0.245 341 P C 0.280 177.258 177.300 -0.537 0.000 1.199 341 P CA 0.857 63.248 63.100 -1.182 0.000 0.807 341 P CB 0.525 31.538 31.700 -1.145 0.000 1.002 342 E N -0.246 119.710 120.200 -0.406 0.000 2.106 342 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 342 E C 0.031 176.691 176.600 0.100 0.000 0.984 342 E CA 0.474 56.770 56.400 -0.175 0.000 0.806 342 E CB -1.145 28.488 29.700 -0.110 0.000 0.750 342 E HN 0.222 nan 8.360 nan 0.000 0.458 343 Y N 0.430 120.772 120.300 0.069 0.000 3.108 343 Y HA -0.266 4.283 4.550 -0.000 0.000 0.208 343 Y C 0.053 176.074 175.900 0.202 0.000 1.245 343 Y CA 0.341 58.518 58.100 0.128 0.000 1.171 343 Y CB -1.921 36.605 38.460 0.112 0.000 1.331 343 Y HN -0.071 nan 8.280 nan 0.000 0.534 344 S N 1.548 117.432 115.700 0.308 0.000 2.465 344 S HA 0.596 5.066 4.470 -0.000 0.000 0.279 344 S C 0.258 174.993 174.600 0.226 0.000 1.201 344 S CA -0.700 57.729 58.200 0.381 0.000 1.053 344 S CB 0.270 63.759 63.200 0.481 0.000 0.953 344 S HN 0.316 nan 8.310 nan 0.000 0.488 345 M N 7.786 127.463 119.600 0.129 0.000 2.952 345 M HA 0.259 4.739 4.480 -0.000 0.000 0.259 345 M C -2.087 174.099 176.300 -0.190 0.000 1.306 345 M CA -1.942 53.281 55.300 -0.128 0.000 0.626 345 M CB 1.006 33.355 32.600 -0.420 0.000 1.423 345 M HN 0.446 nan 8.290 nan 0.000 0.459 346 P HA -0.164 nan 4.420 nan 0.000 0.216 346 P C 1.358 178.615 177.300 -0.072 0.000 1.153 346 P CA 1.442 64.499 63.100 -0.071 0.000 0.848 346 P CB 0.423 31.943 31.700 -0.299 0.000 0.787 347 K N -0.368 119.977 120.400 -0.092 0.000 2.057 347 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 347 K C 2.096 178.642 176.600 -0.090 0.000 1.049 347 K CA 1.882 58.124 56.287 -0.075 0.000 0.931 347 K CB -0.555 31.914 32.500 -0.052 0.000 0.714 347 K HN -0.017 nan 8.250 nan 0.000 0.440 348 T N 2.016 116.496 114.554 -0.123 0.000 2.746 348 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 348 T C 1.671 176.300 174.700 -0.119 0.000 1.039 348 T CA 1.075 63.104 62.100 -0.118 0.000 1.142 348 T CB -0.138 68.635 68.868 -0.160 0.000 0.866 348 T HN 0.188 nan 8.240 nan 0.000 0.444 349 L N 1.016 122.139 121.223 -0.168 0.000 1.989 349 L HA -0.144 4.195 4.340 -0.000 0.000 0.211 349 L C 2.544 179.377 176.870 -0.062 0.000 1.071 349 L CA 1.580 56.389 54.840 -0.053 0.000 0.749 349 L CB -0.488 41.623 42.059 0.087 0.000 0.890 349 L HN 0.161 nan 8.230 nan 0.000 0.431 350 V N -0.186 119.778 119.914 0.084 0.000 2.332 350 V HA -0.343 3.776 4.120 -0.000 0.000 0.248 350 V C 2.450 178.458 176.094 -0.144 0.000 1.055 350 V CA 1.961 64.336 62.300 0.126 0.000 1.038 350 V CB -0.667 31.258 31.823 0.169 0.000 0.651 350 V HN 0.558 nan 8.190 nan 0.000 0.450 351 Q N -0.002 119.658 119.800 -0.234 0.000 2.084 351 Q HA -0.212 4.127 4.340 -0.000 0.000 0.202 351 Q C 2.117 178.008 176.000 -0.182 0.000 0.978 351 Q CA 1.929 57.517 55.803 -0.358 0.000 0.844 351 Q CB -0.343 28.247 28.738 -0.247 0.000 0.898 351 Q HN 0.758 nan 8.270 nan 0.000 0.426 352 N N 0.272 118.883 118.700 -0.148 0.000 2.084 352 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 352 N C 1.725 177.093 175.510 -0.236 0.000 1.030 352 N CA 0.877 53.849 53.050 -0.130 0.000 0.849 352 N CB 0.015 38.451 38.487 -0.085 0.000 1.012 352 N HN 0.119 nan 8.380 nan 0.000 0.423 353 I N 1.619 121.931 120.570 -0.431 0.000 2.179 353 I HA -0.184 3.985 4.170 -0.000 0.000 0.242 353 I C 2.585 178.474 176.117 -0.379 0.000 1.088 353 I CA 0.901 61.856 61.300 -0.575 0.000 1.357 353 I CB -1.717 35.617 38.000 -1.111 0.000 1.051 353 I HN 0.095 nan 8.210 nan 0.000 0.409 354 A N 0.480 123.119 122.820 -0.301 0.000 1.908 354 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 354 A C 2.453 179.977 177.584 -0.101 0.000 1.181 354 A CA 2.614 54.522 52.037 -0.215 0.000 0.627 354 A CB -1.179 17.767 19.000 -0.091 0.000 0.818 354 A HN 0.443 nan 8.150 nan 0.000 0.445 355 T N 0.342 114.873 114.554 -0.039 0.000 2.746 355 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 355 T C 1.822 176.508 174.700 -0.023 0.000 1.039 355 T CA 1.478 63.592 62.100 0.023 0.000 1.142 355 T CB -0.365 68.536 68.868 0.056 0.000 0.866 355 T HN 0.373 nan 8.240 nan 0.000 0.444 356 L N 0.660 121.841 121.223 -0.070 0.000 2.027 356 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 356 L C 3.077 179.901 176.870 -0.076 0.000 1.074 356 L CA 1.211 56.014 54.840 -0.063 0.000 0.745 356 L CB -0.716 41.294 42.059 -0.081 0.000 0.898 356 L HN 0.239 nan 8.230 nan 0.000 0.433 357 A N 0.377 123.118 122.820 -0.132 0.000 1.883 357 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 357 A C 2.049 179.582 177.584 -0.086 0.000 1.186 357 A CA 2.083 54.039 52.037 -0.135 0.000 0.624 357 A CB -0.649 18.224 19.000 -0.210 0.000 0.822 357 A HN 0.465 nan 8.150 nan 0.000 0.444 358 N N -0.549 118.104 118.700 -0.078 0.000 2.309 358 N HA -0.137 4.602 4.740 -0.000 0.000 0.182 358 N C 1.693 177.195 175.510 -0.014 0.000 1.018 358 N CA 1.313 54.338 53.050 -0.041 0.000 0.876 358 N CB -0.292 38.181 38.487 -0.023 0.000 0.972 358 N HN 0.792 nan 8.380 nan 0.000 0.434 359 E N 1.145 121.339 120.200 -0.010 0.000 2.152 359 E HA -0.080 4.269 4.350 -0.000 0.000 0.192 359 E C 1.081 177.684 176.600 0.005 0.000 0.983 359 E CA 0.899 57.303 56.400 0.006 0.000 0.818 359 E CB 0.213 29.919 29.700 0.011 0.000 0.758 359 E HN 0.240 nan 8.360 nan 0.000 0.467 360 K N -1.046 119.351 120.400 -0.005 0.000 2.379 360 K HA 0.118 4.437 4.320 -0.000 0.000 0.194 360 K C 0.729 177.332 176.600 0.004 0.000 1.031 360 K CA 0.484 56.772 56.287 0.002 0.000 1.037 360 K CB 0.791 33.291 32.500 0.000 0.000 0.824 360 K HN 0.234 nan 8.250 nan 0.000 0.516 361 G N 2.119 110.917 108.800 -0.004 0.000 2.204 361 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 361 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 361 G C -0.158 174.744 174.900 0.003 0.000 1.062 361 G CA -0.313 44.787 45.100 0.001 0.000 0.798 361 G HN 0.191 nan 8.290 nan 0.000 0.496 362 I N 0.558 121.121 120.570 -0.012 0.000 2.336 362 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 362 I C 1.040 177.143 176.117 -0.023 0.000 0.991 362 I CA -1.227 60.071 61.300 -0.003 0.000 1.227 362 I CB 1.730 39.720 38.000 -0.018 0.000 1.366 362 I HN -0.097 nan 8.210 nan 0.000 0.466 363 V N 6.863 126.781 119.914 0.007 0.000 2.673 363 V HA -0.002 4.118 4.120 -0.000 0.000 0.303 363 V C -0.014 176.072 176.094 -0.014 0.000 1.046 363 V CA 0.051 62.355 62.300 0.006 0.000 1.126 363 V CB 1.035 32.879 31.823 0.035 0.000 0.934 363 V HN 0.376 nan 8.190 nan 0.000 0.487 364 L N 5.986 127.176 121.223 -0.056 0.000 2.349 364 L HA 0.595 4.935 4.340 -0.000 0.000 0.278 364 L C -0.433 176.454 176.870 0.029 0.000 0.996 364 L CA 0.042 54.802 54.840 -0.133 0.000 0.825 364 L CB 1.573 43.373 42.059 -0.432 0.000 1.243 364 L HN 0.715 nan 8.230 nan 0.000 0.412 365 N N 2.417 121.245 118.700 0.213 0.000 2.335 365 N HA 0.888 5.628 4.740 -0.000 0.000 0.304 365 N C -0.676 175.205 175.510 0.618 0.000 1.135 365 N CA -0.576 52.745 53.050 0.453 0.000 0.817 365 N CB 2.063 40.775 38.487 0.375 0.000 1.294 365 N HN 0.748 nan 8.380 nan 0.000 0.497 366 G N -0.358 108.818 108.800 0.626 0.000 2.605 366 G HA2 0.667 4.626 3.960 -0.000 0.000 0.296 366 G HA3 0.667 4.626 3.960 -0.000 0.000 0.296 366 G C -1.352 173.674 174.900 0.209 0.000 1.304 366 G CA -0.406 44.966 45.100 0.453 0.000 0.941 366 G HN 0.475 nan 8.290 nan 0.000 0.475 367 E N -0.207 120.068 120.200 0.126 0.000 2.408 367 E HA 0.234 4.584 4.350 -0.000 0.000 0.275 367 E C -0.794 175.900 176.600 0.156 0.000 0.935 367 E CA -1.029 55.349 56.400 -0.036 0.000 0.775 367 E CB 2.252 31.908 29.700 -0.074 0.000 1.277 367 E HN 0.650 nan 8.360 nan 0.000 0.455 368 N N 0.424 119.246 118.700 0.204 0.000 2.524 368 N HA 0.209 4.949 4.740 -0.000 0.000 0.283 368 N C 0.109 175.658 175.510 0.066 0.000 1.142 368 N CA -0.100 53.076 53.050 0.209 0.000 0.984 368 N CB 1.693 40.367 38.487 0.312 0.000 1.155 368 N HN 0.498 nan 8.380 nan 0.000 0.467 369 A N 1.805 124.638 122.820 0.021 0.000 1.935 369 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 369 A C 0.914 178.503 177.584 0.008 0.000 1.178 369 A CA 0.615 52.653 52.037 0.001 0.000 0.640 369 A CB -0.102 18.888 19.000 -0.017 0.000 0.825 369 A HN 0.658 nan 8.150 nan 0.000 0.447 370 L N -1.498 119.727 121.223 0.004 0.000 2.327 370 L HA 0.389 4.729 4.340 -0.000 0.000 0.258 370 L C -0.177 176.705 176.870 0.020 0.000 1.024 370 L CA -0.953 53.887 54.840 -0.000 0.000 0.825 370 L CB 1.995 44.034 42.059 -0.033 0.000 1.386 370 L HN -0.077 nan 8.230 nan 0.000 0.417 371 S N 1.267 116.978 115.700 0.019 0.000 2.558 371 S HA 0.228 4.698 4.470 -0.000 0.000 0.293 371 S C -0.122 174.482 174.600 0.008 0.000 1.292 371 S CA -0.048 58.170 58.200 0.030 0.000 1.063 371 S CB -0.123 63.093 63.200 0.025 0.000 0.831 371 S HN 0.247 nan 8.310 nan 0.000 0.499 372 I N 2.775 123.353 120.570 0.013 0.000 2.315 372 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 372 I C 1.334 177.376 176.117 -0.125 0.000 1.006 372 I CA -0.215 61.033 61.300 -0.086 0.000 1.265 372 I CB 1.305 39.221 38.000 -0.140 0.000 1.387 372 I HN 0.841 nan 8.210 nan 0.000 0.475 373 G N 5.236 113.958 108.800 -0.130 0.000 2.709 373 G HA2 0.004 3.964 3.960 -0.000 0.000 0.208 373 G HA3 0.004 3.964 3.960 -0.000 0.000 0.208 373 G C 0.228 175.050 174.900 -0.130 0.000 1.129 373 G CA -0.005 45.039 45.100 -0.093 0.000 0.793 373 G HN 0.672 nan 8.290 nan 0.000 0.524 374 N N -0.704 117.879 118.700 -0.196 0.000 2.312 374 N HA 0.296 5.036 4.740 -0.000 0.000 0.296 374 N C 0.712 176.050 175.510 -0.287 0.000 1.193 374 N CA -0.488 52.460 53.050 -0.171 0.000 0.773 374 N CB 1.331 39.764 38.487 -0.089 0.000 1.435 374 N HN 0.175 nan 8.380 nan 0.000 0.484 375 E N -0.365 119.754 120.200 -0.135 0.000 2.268 375 E HA -0.196 4.153 4.350 -0.000 0.000 0.195 375 E C 0.409 177.008 176.600 -0.002 0.000 0.995 375 E CA 0.845 57.237 56.400 -0.013 0.000 0.836 375 E CB -0.158 29.620 29.700 0.131 0.000 0.763 375 E HN 0.549 nan 8.360 nan 0.000 0.491 376 E N 1.356 121.533 120.200 -0.038 0.000 2.153 376 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 376 E C 1.767 178.345 176.600 -0.038 0.000 0.988 376 E CA 1.092 57.479 56.400 -0.020 0.000 0.811 376 E CB -0.027 29.660 29.700 -0.023 0.000 0.746 376 E HN 0.569 nan 8.360 nan 0.000 0.466 377 E N -0.411 119.731 120.200 -0.096 0.000 2.152 377 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 377 E C 1.813 178.392 176.600 -0.035 0.000 0.983 377 E CA 0.463 56.805 56.400 -0.097 0.000 0.818 377 E CB -0.108 29.501 29.700 -0.150 0.000 0.758 377 E HN 0.242 nan 8.360 nan 0.000 0.467 378 Y N 1.584 121.858 120.300 -0.042 0.000 2.224 378 Y HA -0.145 4.404 4.550 -0.000 0.000 0.289 378 Y C 2.002 177.812 175.900 -0.150 0.000 1.146 378 Y CA 0.790 58.837 58.100 -0.089 0.000 1.182 378 Y CB -0.277 38.159 38.460 -0.040 0.000 0.983 378 Y HN -0.070 nan 8.280 nan 0.000 0.524 379 K N -0.187 120.254 120.400 0.070 0.000 2.097 379 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 379 K C 2.180 178.754 176.600 -0.043 0.000 1.049 379 K CA 1.310 57.600 56.287 0.005 0.000 0.933 379 K CB -0.192 32.321 32.500 0.021 0.000 0.717 379 K HN 0.305 nan 8.250 nan 0.000 0.442 380 R N 0.542 121.011 120.500 -0.051 0.000 2.075 380 R HA -0.065 4.274 4.340 -0.000 0.000 0.232 380 R C 2.361 178.568 176.300 -0.155 0.000 1.126 380 R CA 1.023 57.080 56.100 -0.072 0.000 0.963 380 R CB -0.425 29.839 30.300 -0.060 0.000 0.858 380 R HN -0.015 nan 8.270 nan 0.000 0.435 381 V N 1.261 121.043 119.914 -0.219 0.000 2.332 381 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 381 V C 2.480 178.240 176.094 -0.557 0.000 1.055 381 V CA 2.027 64.073 62.300 -0.424 0.000 1.038 381 V CB -0.756 30.714 31.823 -0.589 0.000 0.651 381 V HN 0.410 nan 8.190 nan 0.000 0.450 382 A N -0.413 122.140 122.820 -0.445 0.000 1.902 382 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 382 A C 2.311 179.694 177.584 -0.335 0.000 1.181 382 A CA 2.042 53.797 52.037 -0.469 0.000 0.623 382 A CB -0.532 18.403 19.000 -0.108 0.000 0.818 382 A HN 0.644 nan 8.150 nan 0.000 0.443 383 E N -0.888 119.201 120.200 -0.185 0.000 2.058 383 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 383 E C 2.008 178.517 176.600 -0.151 0.000 0.997 383 E CA 1.667 57.995 56.400 -0.119 0.000 0.801 383 E CB -0.186 29.511 29.700 -0.005 0.000 0.746 383 E HN 0.470 nan 8.360 nan 0.000 0.450 384 M N 0.545 120.052 119.600 -0.155 0.000 2.077 384 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 384 M C 2.502 178.696 176.300 -0.177 0.000 1.070 384 M CA 1.551 56.809 55.300 -0.070 0.000 1.125 384 M CB -1.425 31.033 32.600 -0.237 0.000 1.339 384 M HN 0.232 nan 8.290 nan 0.000 0.409 385 A N -0.002 122.469 122.820 -0.581 0.000 1.865 385 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 385 A C 2.006 179.361 177.584 -0.382 0.000 1.191 385 A CA 1.576 53.202 52.037 -0.684 0.000 0.623 385 A CB -1.189 17.163 19.000 -1.079 0.000 0.826 385 A HN 0.477 nan 8.150 nan 0.000 0.444 386 F N -0.559 119.250 119.950 -0.235 0.000 2.780 386 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 386 F C 1.925 177.588 175.800 -0.228 0.000 1.146 386 F CA 0.251 58.102 58.000 -0.249 0.000 1.428 386 F CB 0.089 38.895 39.000 -0.324 0.000 1.115 386 F HN 0.225 nan 8.300 nan 0.000 0.583 387 N N -1.459 117.154 118.700 -0.146 0.000 2.227 387 N HA 0.031 4.770 4.740 -0.000 0.000 0.196 387 N C 0.116 175.332 175.510 -0.489 0.000 1.142 387 N CA 0.405 53.191 53.050 -0.439 0.000 0.887 387 N CB 0.361 38.217 38.487 -1.052 0.000 1.022 387 N HN 0.298 nan 8.380 nan 0.000 0.500 388 Y N 0.593 120.929 120.300 0.060 0.000 2.681 388 Y HA 0.223 4.773 4.550 -0.000 0.000 0.267 388 Y C 0.362 176.333 175.900 0.118 0.000 1.166 388 Y CA -0.472 57.717 58.100 0.149 0.000 1.209 388 Y CB 0.070 38.699 38.460 0.282 0.000 1.161 388 Y HN -0.098 nan 8.280 nan 0.000 0.534 389 N N -0.100 118.713 118.700 0.187 0.000 2.747 389 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 389 N C -0.950 174.640 175.510 0.133 0.000 1.107 389 N CA 0.219 53.342 53.050 0.121 0.000 0.707 389 N CB -1.662 36.848 38.487 0.038 0.000 1.054 389 N HN 0.189 nan 8.380 nan 0.000 0.555 390 F N -0.024 119.992 119.950 0.110 0.000 2.484 390 F HA 0.346 4.872 4.527 -0.000 0.000 0.360 390 F C 1.740 177.673 175.800 0.222 0.000 1.101 390 F CA 0.460 58.554 58.000 0.156 0.000 1.251 390 F CB 0.716 39.809 39.000 0.156 0.000 1.132 390 F HN 0.195 nan 8.300 nan 0.000 0.570 391 A N 2.650 125.674 122.820 0.341 0.000 2.275 391 A HA 0.551 4.871 4.320 -0.000 0.000 0.212 391 A C 0.846 178.602 177.584 0.286 0.000 1.201 391 A CA 0.723 52.928 52.037 0.281 0.000 0.843 391 A CB -0.608 18.486 19.000 0.158 0.000 0.873 391 A HN 0.888 nan 8.150 nan 0.000 0.492 392 G N -1.540 107.509 108.800 0.415 0.000 2.616 392 G HA2 0.445 4.405 3.960 -0.000 0.000 0.294 392 G HA3 0.445 4.405 3.960 -0.000 0.000 0.294 392 G C -1.671 173.507 174.900 0.463 0.000 1.489 392 G CA -0.503 44.755 45.100 0.263 0.000 0.836 392 G HN 0.420 nan 8.290 nan 0.000 0.527 393 F N 1.371 121.433 119.950 0.187 0.000 2.547 393 F HA 0.766 5.293 4.527 -0.001 0.000 0.316 393 F C -0.351 175.629 175.800 0.300 0.000 1.121 393 F CA -0.601 57.547 58.000 0.247 0.000 0.911 393 F CB 2.533 41.663 39.000 0.217 0.000 1.179 393 F HN 0.423 nan 8.300 nan 0.000 0.443 394 T N 7.405 121.553 114.554 -0.676 0.000 2.770 394 T HA 0.440 4.790 4.350 -0.000 0.000 0.283 394 T C -1.076 173.153 174.700 -0.786 0.000 0.988 394 T CA -0.405 61.466 62.100 -0.381 0.000 0.957 394 T CB 1.175 70.014 68.868 -0.048 0.000 0.930 394 T HN 0.585 nan 8.240 nan 0.000 0.443 395 L N 4.825 125.851 121.223 -0.329 0.000 2.265 395 L HA 0.558 4.897 4.340 -0.000 0.000 0.288 395 L C -0.575 176.266 176.870 -0.048 0.000 1.058 395 L CA -0.527 54.256 54.840 -0.096 0.000 0.809 395 L CB 0.554 42.708 42.059 0.157 0.000 1.179 395 L HN 0.637 nan 8.230 nan 0.000 0.429 396 L N 6.826 128.048 121.223 -0.001 0.000 2.255 396 L HA 0.604 4.943 4.340 -0.000 0.000 0.289 396 L C -0.488 176.415 176.870 0.054 0.000 1.046 396 L CA -0.199 54.649 54.840 0.014 0.000 0.816 396 L CB 0.234 42.300 42.059 0.013 0.000 1.197 396 L HN 0.868 nan 8.230 nan 0.000 0.427 397 R N 2.842 123.367 120.500 0.041 0.000 2.752 397 R HA 0.121 4.461 4.340 -0.000 0.000 0.271 397 R C 0.167 176.484 176.300 0.027 0.000 1.026 397 R CA -0.576 55.542 56.100 0.030 0.000 0.901 397 R CB 0.921 31.252 30.300 0.052 0.000 1.243 397 R HN 0.576 nan 8.270 nan 0.000 0.463 398 Y N 1.750 121.974 120.300 -0.127 0.000 1.949 398 Y HA -0.500 4.049 4.550 -0.001 0.000 0.232 398 Y C 2.351 178.112 175.900 -0.232 0.000 1.205 398 Y CA 3.129 61.120 58.100 -0.181 0.000 1.037 398 Y CB -0.037 38.363 38.460 -0.100 0.000 0.849 398 Y HN 0.663 nan 8.280 nan 0.000 0.517 399 Q N -0.459 119.416 119.800 0.126 0.000 2.248 399 Q HA -0.224 4.115 4.340 -0.000 0.000 0.208 399 Q C 1.521 177.467 176.000 -0.089 0.000 0.984 399 Q CA 1.884 57.643 55.803 -0.074 0.000 0.875 399 Q CB -0.801 28.073 28.738 0.227 0.000 0.910 399 Q HN 0.585 nan 8.270 nan 0.000 0.433 400 D N 1.214 121.604 120.400 -0.016 0.000 2.182 400 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 400 D C 2.087 178.400 176.300 0.021 0.000 0.986 400 D CA 1.944 55.962 54.000 0.028 0.000 0.847 400 D CB 0.087 40.919 40.800 0.053 0.000 0.942 400 D HN 0.432 nan 8.370 nan 0.000 0.467 401 V N -2.823 117.052 119.914 -0.064 0.000 3.455 401 V HA 0.148 4.267 4.120 -0.000 0.000 0.250 401 V C 2.047 178.087 176.094 -0.091 0.000 1.230 401 V CA 0.026 62.311 62.300 -0.025 0.000 1.105 401 V CB -0.212 31.590 31.823 -0.035 0.000 0.850 401 V HN -0.098 nan 8.190 nan 0.000 0.461 402 M N 1.152 120.536 119.600 -0.359 0.000 2.149 402 M HA -0.029 4.450 4.480 -0.000 0.000 0.261 402 M C 1.581 177.750 176.300 -0.217 0.000 1.064 402 M CA 1.898 56.905 55.300 -0.488 0.000 1.102 402 M CB -0.803 31.093 32.600 -1.173 0.000 1.369 402 M HN 0.556 nan 8.290 nan 0.000 0.408 403 Y N -1.678 118.657 120.300 0.059 0.000 2.658 403 Y HA 0.333 4.883 4.550 -0.000 0.000 0.276 403 Y C 0.323 176.271 175.900 0.080 0.000 1.167 403 Y CA -0.883 57.259 58.100 0.070 0.000 1.230 403 Y CB 0.062 38.561 38.460 0.064 0.000 1.144 403 Y HN 0.108 nan 8.280 nan 0.000 0.529 404 N N 0.783 119.603 118.700 0.199 0.000 2.621 404 N HA 0.092 4.832 4.740 -0.000 0.000 0.271 404 N C -0.625 175.003 175.510 0.197 0.000 1.181 404 N CA -0.134 53.020 53.050 0.173 0.000 0.805 404 N CB 0.305 38.879 38.487 0.145 0.000 1.351 404 N HN 0.220 nan 8.380 nan 0.000 0.539 405 N N 0.176 119.000 118.700 0.208 0.000 2.223 405 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 405 N C 1.239 176.881 175.510 0.220 0.000 1.016 405 N CA 1.364 54.570 53.050 0.261 0.000 0.863 405 N CB 0.315 38.938 38.487 0.227 0.000 0.983 405 N HN 0.396 nan 8.380 nan 0.000 0.429 406 S N 0.817 116.619 115.700 0.170 0.000 2.348 406 S HA -0.072 4.397 4.470 -0.000 0.000 0.221 406 S C 1.909 176.619 174.600 0.183 0.000 1.033 406 S CA 0.792 59.083 58.200 0.151 0.000 1.010 406 S CB -0.382 62.889 63.200 0.118 0.000 0.891 406 S HN 0.247 nan 8.310 nan 0.000 0.442 407 L N 0.573 121.918 121.223 0.204 0.000 2.046 407 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 407 L C 2.596 179.667 176.870 0.335 0.000 1.077 407 L CA 1.267 56.287 54.840 0.301 0.000 0.747 407 L CB -0.411 41.811 42.059 0.272 0.000 0.896 407 L HN 0.349 nan 8.230 nan 0.000 0.432 408 M N 0.185 119.931 119.600 0.243 0.000 2.149 408 M HA -0.139 4.340 4.480 -0.000 0.000 0.261 408 M C 1.924 178.311 176.300 0.146 0.000 1.064 408 M CA 2.085 57.494 55.300 0.183 0.000 1.102 408 M CB -0.975 31.727 32.600 0.169 0.000 1.369 408 M HN 0.131 nan 8.290 nan 0.000 0.408 409 G N -0.745 108.150 108.800 0.158 0.000 2.402 409 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 409 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 409 G C 1.608 176.554 174.900 0.077 0.000 1.162 409 G CA 0.867 46.031 45.100 0.106 0.000 0.777 409 G HN 0.425 nan 8.290 nan 0.000 0.539 410 K N -0.284 120.198 120.400 0.137 0.000 2.148 410 K HA 0.083 4.403 4.320 -0.000 0.000 0.204 410 K C 1.896 178.460 176.600 -0.060 0.000 1.050 410 K CA 0.518 56.876 56.287 0.118 0.000 0.942 410 K CB -0.439 32.232 32.500 0.285 0.000 0.724 410 K HN 0.343 nan 8.250 nan 0.000 0.446 411 F N 1.740 121.521 119.950 -0.282 0.000 2.113 411 F HA -0.180 4.347 4.527 -0.001 0.000 0.297 411 F C 2.127 177.698 175.800 -0.381 0.000 1.103 411 F CA 1.562 59.185 58.000 -0.628 0.000 1.248 411 F CB -0.082 38.580 39.000 -0.562 0.000 0.999 411 F HN -0.107 nan 8.300 nan 0.000 0.475 412 K N 0.335 120.658 120.400 -0.128 0.000 2.020 412 K HA -0.305 4.015 4.320 -0.000 0.000 0.212 412 K C 2.004 178.444 176.600 -0.267 0.000 1.050 412 K CA 2.279 58.450 56.287 -0.194 0.000 0.929 412 K CB -0.718 31.714 32.500 -0.114 0.000 0.714 412 K HN 0.396 nan 8.250 nan 0.000 0.443 413 D N 0.201 120.487 120.400 -0.191 0.000 2.104 413 D HA -0.179 4.460 4.640 -0.000 0.000 0.194 413 D C 1.997 178.167 176.300 -0.217 0.000 0.994 413 D CA 1.573 55.476 54.000 -0.162 0.000 0.830 413 D CB -0.036 40.712 40.800 -0.087 0.000 0.959 413 D HN 0.353 nan 8.370 nan 0.000 0.452 414 L N -0.962 120.094 121.223 -0.279 0.000 2.162 414 L HA 0.095 4.435 4.340 -0.000 0.000 0.205 414 L C 2.136 178.810 176.870 -0.326 0.000 1.086 414 L CA 0.530 55.210 54.840 -0.267 0.000 0.778 414 L CB 0.027 41.959 42.059 -0.212 0.000 0.928 414 L HN 0.128 nan 8.230 nan 0.000 0.446 415 L N -1.796 119.026 121.223 -0.669 0.000 2.803 415 L HA 0.257 4.597 4.340 -0.000 0.000 0.246 415 L C 1.589 178.133 176.870 -0.543 0.000 1.100 415 L CA 0.061 54.494 54.840 -0.679 0.000 0.919 415 L CB 0.115 41.475 42.059 -1.165 0.000 1.285 415 L HN 0.109 nan 8.230 nan 0.000 0.522 416 G N 1.702 110.069 108.800 -0.722 0.000 3.574 416 G HA2 0.340 4.300 3.960 -0.000 0.000 0.262 416 G HA3 0.340 4.300 3.960 -0.000 0.000 0.262 416 G C 0.219 175.010 174.900 -0.182 0.000 1.231 416 G CA 0.012 44.898 45.100 -0.358 0.000 1.608 416 G HN 0.038 nan 8.290 nan 0.000 0.628 417 V N -2.574 117.290 119.914 -0.083 0.000 2.973 417 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 417 V C 0.011 176.095 176.094 -0.017 0.000 1.066 417 V CA -0.759 61.485 62.300 -0.093 0.000 1.021 417 V CB 1.744 33.441 31.823 -0.210 0.000 1.076 417 V HN -0.005 nan 8.190 nan 0.000 0.462 418 T N 4.535 119.045 114.554 -0.074 0.000 2.772 418 T HA 0.481 4.831 4.350 -0.000 0.000 0.288 418 T C -2.691 171.958 174.700 -0.085 0.000 0.994 418 T CA -0.877 61.188 62.100 -0.058 0.000 0.951 418 T CB 1.377 70.203 68.868 -0.070 0.000 0.933 418 T HN 0.792 nan 8.240 nan 0.000 0.447 419 P HA 0.300 nan 4.420 nan 0.000 0.276 419 P C -0.838 176.408 177.300 -0.090 0.000 1.235 419 P CA -0.336 62.711 63.100 -0.087 0.000 0.772 419 P CB 1.198 32.880 31.700 -0.030 0.000 0.871 420 V N 5.288 125.131 119.914 -0.119 0.000 2.686 420 V HA 0.412 4.531 4.120 -0.000 0.000 0.306 420 V C -0.380 175.650 176.094 -0.106 0.000 1.065 420 V CA -1.175 61.059 62.300 -0.111 0.000 0.894 420 V CB 2.045 33.786 31.823 -0.136 0.000 1.004 420 V HN 0.448 nan 8.190 nan 0.000 0.424 421 M N 6.479 126.036 119.600 -0.071 0.000 2.238 421 M HA 0.436 4.916 4.480 -0.000 0.000 0.350 421 M C -0.378 175.899 176.300 -0.037 0.000 1.321 421 M CA 0.994 56.266 55.300 -0.047 0.000 1.097 421 M CB 0.345 32.928 32.600 -0.027 0.000 1.713 421 M HN 0.731 nan 8.290 nan 0.000 0.455 422 Q N 2.676 122.475 119.800 -0.003 0.000 2.501 422 Q HA 0.526 4.866 4.340 -0.000 0.000 0.288 422 Q C -1.241 174.839 176.000 0.133 0.000 1.051 422 Q CA -0.652 55.198 55.803 0.078 0.000 0.788 422 Q CB 2.203 30.990 28.738 0.081 0.000 1.469 422 Q HN 0.675 nan 8.270 nan 0.000 0.416 423 T N 1.375 116.053 114.554 0.205 0.000 2.770 423 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 423 T C -0.243 174.559 174.700 0.170 0.000 0.988 423 T CA -0.374 61.816 62.100 0.151 0.000 0.957 423 T CB 0.437 69.373 68.868 0.113 0.000 0.930 423 T HN 0.216 nan 8.240 nan 0.000 0.443 424 I N 3.807 124.445 120.570 0.113 0.000 2.354 424 I HA 0.437 4.606 4.170 -0.000 0.000 0.292 424 I C -0.379 175.812 176.117 0.124 0.000 0.989 424 I CA -0.557 60.796 61.300 0.089 0.000 1.188 424 I CB 1.612 39.602 38.000 -0.016 0.000 1.342 424 I HN 0.350 nan 8.210 nan 0.000 0.457 425 V N 6.932 126.936 119.914 0.150 0.000 2.540 425 V HA 0.594 4.714 4.120 -0.000 0.000 0.302 425 V C -0.495 175.719 176.094 0.200 0.000 1.035 425 V CA -0.789 61.606 62.300 0.158 0.000 0.873 425 V CB 2.049 33.940 31.823 0.113 0.000 0.992 425 V HN 0.343 nan 8.190 nan 0.000 0.428 426 V N 4.768 124.826 119.914 0.241 0.000 2.483 426 V HA 0.503 4.623 4.120 -0.000 0.000 0.297 426 V C -0.113 176.152 176.094 0.285 0.000 1.027 426 V CA -0.866 61.599 62.300 0.276 0.000 0.855 426 V CB 1.691 33.708 31.823 0.323 0.000 0.995 426 V HN 0.858 nan 8.190 nan 0.000 0.424 427 K N 2.510 123.054 120.400 0.241 0.000 2.185 427 K HA 0.565 4.885 4.320 -0.000 0.000 0.240 427 K C 0.191 176.930 176.600 0.232 0.000 0.983 427 K CA -0.819 55.597 56.287 0.215 0.000 0.873 427 K CB 0.986 33.576 32.500 0.149 0.000 1.118 427 K HN 0.748 nan 8.250 nan 0.000 0.441 428 N N -0.820 117.992 118.700 0.186 0.000 2.758 428 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 428 N C -1.205 174.365 175.510 0.099 0.000 1.076 428 N CA -0.098 53.043 53.050 0.153 0.000 0.696 428 N CB -1.222 37.370 38.487 0.176 0.000 0.979 428 N HN 0.082 nan 8.380 nan 0.000 0.550 429 V N 1.412 121.327 119.914 0.001 0.000 2.368 429 V HA 0.245 4.364 4.120 -0.000 0.000 0.266 429 V C -1.232 174.610 176.094 -0.421 0.000 1.045 429 V CA -1.065 60.986 62.300 -0.415 0.000 0.899 429 V CB 0.875 32.440 31.823 -0.430 0.000 1.006 429 V HN 0.109 nan 8.190 nan 0.000 0.470 430 P HA 0.105 nan 4.420 nan 0.000 0.235 430 P C 0.218 177.322 177.300 -0.327 0.000 1.765 430 P CA -0.011 62.895 63.100 -0.324 0.000 1.034 430 P CB -0.343 31.215 31.700 -0.237 0.000 1.984 431 T N -1.139 113.247 114.554 -0.280 0.000 2.927 431 T HA 0.550 4.900 4.350 -0.000 0.000 0.281 431 T C 0.092 174.712 174.700 -0.133 0.000 0.998 431 T CA -0.515 61.443 62.100 -0.236 0.000 1.019 431 T CB 1.815 70.549 68.868 -0.224 0.000 1.061 431 T HN 0.145 nan 8.240 nan 0.000 0.518 432 T N -0.103 114.388 114.554 -0.106 0.000 2.831 432 T HA 0.510 4.860 4.350 -0.000 0.000 0.287 432 T C -0.458 174.213 174.700 -0.048 0.000 1.070 432 T CA -1.058 61.001 62.100 -0.068 0.000 1.010 432 T CB 0.630 69.464 68.868 -0.056 0.000 1.264 432 T HN 0.573 nan 8.240 nan 0.000 0.532 433 I N 2.287 122.837 120.570 -0.033 0.000 2.821 433 I HA 0.191 4.361 4.170 -0.000 0.000 0.294 433 I C 1.869 177.980 176.117 -0.011 0.000 1.210 433 I CA 1.717 63.007 61.300 -0.017 0.000 1.430 433 I CB -0.520 37.473 38.000 -0.012 0.000 1.356 433 I HN 1.094 nan 8.210 nan 0.000 0.563 434 G N 4.960 113.763 108.800 0.005 0.000 2.195 434 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 434 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 434 G C 0.045 174.944 174.900 -0.002 0.000 0.984 434 G CA -0.232 44.873 45.100 0.009 0.000 0.633 434 G HN 0.550 nan 8.290 nan 0.000 0.525 435 D N 1.800 122.183 120.400 -0.027 0.000 2.308 435 D HA 0.534 5.174 4.640 -0.000 0.000 0.251 435 D C 0.855 177.078 176.300 -0.129 0.000 1.127 435 D CA 0.996 54.941 54.000 -0.092 0.000 0.876 435 D CB 1.291 41.995 40.800 -0.160 0.000 1.176 435 D HN 0.433 nan 8.370 nan 0.000 0.446 436 T N -1.460 112.990 114.554 -0.174 0.000 2.855 436 T HA 0.632 4.982 4.350 -0.000 0.000 0.281 436 T C -0.159 174.221 174.700 -0.534 0.000 1.007 436 T CA -0.897 61.035 62.100 -0.279 0.000 1.009 436 T CB 1.353 70.190 68.868 -0.050 0.000 0.983 436 T HN -0.004 nan 8.240 nan 0.000 0.455 437 V N 3.126 122.465 119.914 -0.958 0.000 2.459 437 V HA 0.568 4.687 4.120 -0.000 0.000 0.295 437 V C -1.167 174.490 176.094 -0.728 0.000 1.029 437 V CA -0.702 61.058 62.300 -0.899 0.000 0.874 437 V CB 0.638 31.628 31.823 -1.388 0.000 0.985 437 V HN 0.901 nan 8.190 nan 0.000 0.438 438 Y N 4.262 124.097 120.300 -0.776 0.000 2.662 438 Y HA 0.803 5.353 4.550 -0.000 0.000 0.335 438 Y C 0.058 175.582 175.900 -0.628 0.000 1.066 438 Y CA -1.222 56.438 58.100 -0.734 0.000 1.116 438 Y CB 1.949 39.819 38.460 -0.983 0.000 1.308 438 Y HN 0.630 nan 8.280 nan 0.000 0.502 439 I N -1.376 119.138 120.570 -0.093 0.000 2.686 439 I HA 0.875 5.044 4.170 -0.000 0.000 0.295 439 I C -0.912 175.368 176.117 0.271 0.000 1.114 439 I CA -0.566 60.813 61.300 0.133 0.000 1.038 439 I CB 2.533 40.590 38.000 0.094 0.000 1.238 439 I HN 0.526 nan 8.210 nan 0.000 0.420 440 T N 2.472 117.275 114.554 0.415 0.000 2.883 440 T HA 0.900 5.250 4.350 -0.000 0.000 0.301 440 T C -0.602 174.075 174.700 -0.037 0.000 1.158 440 T CA -0.108 62.155 62.100 0.271 0.000 1.007 440 T CB 1.868 71.022 68.868 0.477 0.000 1.186 440 T HN 1.272 nan 8.240 nan 0.000 0.499 441 G N 1.508 110.007 108.800 -0.501 0.000 2.682 441 G HA2 0.374 4.334 3.960 -0.000 0.000 0.303 441 G HA3 0.374 4.334 3.960 -0.000 0.000 0.303 441 G C 0.509 174.539 174.900 -1.449 0.000 1.341 441 G CA 0.002 44.397 45.100 -1.175 0.000 0.784 441 G HN 0.690 nan 8.290 nan 0.000 0.497 442 N N -0.221 117.805 118.700 -1.123 0.000 2.084 442 N HA -0.081 4.659 4.740 -0.000 0.000 0.190 442 N C 0.835 176.189 175.510 -0.260 0.000 1.030 442 N CA 0.783 53.512 53.050 -0.535 0.000 0.849 442 N CB -0.270 38.209 38.487 -0.013 0.000 1.012 442 N HN 0.477 nan 8.380 nan 0.000 0.423 443 R N -0.242 120.127 120.500 -0.220 0.000 2.679 443 R HA 0.362 4.702 4.340 -0.000 0.000 0.269 443 R C 1.276 177.486 176.300 -0.150 0.000 1.076 443 R CA 0.224 56.230 56.100 -0.158 0.000 1.160 443 R CB 0.439 30.631 30.300 -0.179 0.000 1.054 443 R HN 0.291 nan 8.270 nan 0.000 0.507 444 A N 2.214 124.980 122.820 -0.089 0.000 2.024 444 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 444 A C 1.615 179.152 177.584 -0.079 0.000 1.164 444 A CA 1.546 53.563 52.037 -0.032 0.000 0.643 444 A CB -0.258 18.788 19.000 0.076 0.000 0.806 444 A HN 0.797 nan 8.150 nan 0.000 0.451 445 E N -0.357 119.715 120.200 -0.212 0.000 2.204 445 E HA -0.006 4.343 4.350 -0.000 0.000 0.194 445 E C 1.253 177.731 176.600 -0.203 0.000 0.989 445 E CA 0.681 56.899 56.400 -0.303 0.000 0.824 445 E CB -0.145 29.250 29.700 -0.508 0.000 0.756 445 E HN 0.615 nan 8.360 nan 0.000 0.477 446 L N -0.897 120.212 121.223 -0.189 0.000 2.700 446 L HA 0.289 4.628 4.340 -0.000 0.000 0.234 446 L C 1.053 177.867 176.870 -0.094 0.000 1.156 446 L CA 0.177 54.918 54.840 -0.165 0.000 0.946 446 L CB 0.257 42.178 42.059 -0.230 0.000 1.216 446 L HN 0.333 nan 8.230 nan 0.000 0.493 447 G N -0.908 107.864 108.800 -0.048 0.000 2.179 447 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.260 447 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.260 447 G C 0.607 175.582 174.900 0.126 0.000 0.977 447 G CA 0.168 45.325 45.100 0.095 0.000 0.641 447 G HN 0.267 nan 8.290 nan 0.000 0.533 448 S N -1.961 113.717 115.700 -0.036 0.000 3.682 448 S HA -0.276 4.194 4.470 -0.000 0.000 0.354 448 S C 1.069 175.742 174.600 0.121 0.000 1.034 448 S CA 1.684 59.869 58.200 -0.024 0.000 1.084 448 S CB -2.016 61.244 63.200 0.100 0.000 0.903 448 S HN 1.852 nan 8.310 nan 0.000 0.470 449 W N -1.943 119.435 121.300 0.130 0.000 2.589 449 W HA -0.255 4.405 4.660 -0.001 0.000 0.272 449 W C 0.308 176.894 176.519 0.112 0.000 1.060 449 W CA 0.556 57.974 57.345 0.122 0.000 0.533 449 W CB -1.664 27.822 29.460 0.044 0.000 2.084 449 W HN 0.645 nan 8.180 nan 0.000 1.371 450 D N 0.436 120.999 120.400 0.271 0.000 2.350 450 D HA 0.330 4.970 4.640 -0.000 0.000 0.249 450 D C 1.325 177.690 176.300 0.109 0.000 1.119 450 D CA 1.279 55.363 54.000 0.140 0.000 0.886 450 D CB 1.046 41.879 40.800 0.054 0.000 1.195 450 D HN 0.074 nan 8.370 nan 0.000 0.437 451 T N 0.133 114.673 114.554 -0.023 0.000 3.040 451 T HA 0.180 4.530 4.350 -0.000 0.000 0.266 451 T C 1.284 175.909 174.700 -0.126 0.000 1.005 451 T CA -0.359 61.649 62.100 -0.153 0.000 0.906 451 T CB 0.256 68.769 68.868 -0.593 0.000 1.082 451 T HN 0.159 nan 8.240 nan 0.000 0.531 452 K N 1.312 121.642 120.400 -0.116 0.000 2.056 452 K HA 0.214 4.534 4.320 -0.000 0.000 0.205 452 K C 1.906 178.432 176.600 -0.123 0.000 1.035 452 K CA 1.136 57.347 56.287 -0.127 0.000 0.955 452 K CB 0.059 32.481 32.500 -0.131 0.000 0.769 452 K HN 0.327 nan 8.250 nan 0.000 0.447 453 Q N -1.491 118.198 119.800 -0.185 0.000 2.369 453 Q HA 0.083 4.423 4.340 -0.000 0.000 0.254 453 Q C 1.121 177.154 176.000 0.054 0.000 0.858 453 Q CA 0.159 55.888 55.803 -0.123 0.000 0.961 453 Q CB 0.518 29.136 28.738 -0.200 0.000 1.119 453 Q HN 0.203 nan 8.270 nan 0.000 0.538 454 Y N 0.743 121.041 120.300 -0.002 0.000 2.482 454 Y HA 0.211 4.761 4.550 -0.001 0.000 0.270 454 Y C -1.780 174.147 175.900 0.045 0.000 1.152 454 Y CA -1.988 56.108 58.100 -0.006 0.000 1.292 454 Y CB -1.187 37.265 38.460 -0.013 0.000 1.070 454 Y HN 0.052 nan 8.280 nan 0.000 0.528 455 P HA 0.002 nan 4.420 nan 0.000 0.270 455 P C -0.122 177.334 177.300 0.260 0.000 1.223 455 P CA 0.441 63.701 63.100 0.265 0.000 0.785 455 P CB 1.416 33.307 31.700 0.319 0.000 0.923 456 I N 1.459 122.149 120.570 0.201 0.000 2.321 456 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 456 I C 1.106 177.235 176.117 0.020 0.000 0.998 456 I CA -0.527 60.834 61.300 0.102 0.000 1.227 456 I CB 0.844 38.855 38.000 0.018 0.000 1.368 456 I HN 0.333 nan 8.210 nan 0.000 0.466 457 Q N 6.082 125.812 119.800 -0.118 0.000 2.327 457 Q HA 0.495 4.835 4.340 -0.000 0.000 0.254 457 Q C -1.183 174.538 176.000 -0.463 0.000 0.952 457 Q CA -0.297 55.156 55.803 -0.583 0.000 0.884 457 Q CB 1.087 29.383 28.738 -0.737 0.000 1.224 457 Q HN 0.576 nan 8.270 nan 0.000 0.422 458 L N 2.974 123.889 121.223 -0.514 0.000 2.313 458 L HA 0.527 4.867 4.340 -0.000 0.000 0.268 458 L C -1.058 175.667 176.870 -0.241 0.000 1.010 458 L CA -1.029 53.703 54.840 -0.180 0.000 0.814 458 L CB 1.112 43.195 42.059 0.040 0.000 1.304 458 L HN 0.656 nan 8.230 nan 0.000 0.441 459 Y N -0.848 119.574 120.300 0.203 0.000 2.562 459 Y HA 0.348 4.898 4.550 -0.000 0.000 0.343 459 Y C -0.490 175.297 175.900 -0.188 0.000 1.025 459 Y CA -0.581 57.578 58.100 0.099 0.000 1.082 459 Y CB 1.510 39.954 38.460 -0.027 0.000 1.264 459 Y HN 0.278 nan 8.280 nan 0.000 0.478 460 Y N 2.344 122.220 120.300 -0.707 0.000 2.335 460 Y HA 0.199 4.749 4.550 -0.000 0.000 0.331 460 Y C -0.247 175.359 175.900 -0.490 0.000 1.094 460 Y CA -0.965 56.438 58.100 -1.160 0.000 1.253 460 Y CB 0.687 38.282 38.460 -1.443 0.000 1.203 460 Y HN 0.554 nan 8.280 nan 0.000 0.508 461 D N 4.195 123.893 120.400 -1.170 0.000 2.479 461 D HA 0.102 4.741 4.640 -0.000 0.000 0.247 461 D C 0.735 176.362 176.300 -1.121 0.000 1.119 461 D CA 0.188 53.691 54.000 -0.828 0.000 0.922 461 D CB 0.844 41.414 40.800 -0.383 0.000 1.014 461 D HN 0.788 nan 8.370 nan 0.000 0.510 462 S N 2.502 117.498 115.700 -1.175 0.000 2.380 462 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 462 S C 1.892 176.346 174.600 -0.243 0.000 1.043 462 S CA 0.989 58.818 58.200 -0.618 0.000 1.038 462 S CB -0.563 62.519 63.200 -0.197 0.000 0.872 462 S HN 0.651 nan 8.310 nan 0.000 0.456 463 H N 1.695 120.604 119.070 -0.268 0.000 2.421 463 H HA 0.064 4.620 4.556 -0.000 0.000 0.298 463 H C 1.113 176.360 175.328 -0.134 0.000 1.087 463 H CA 1.690 57.644 56.048 -0.156 0.000 1.330 463 H CB -0.160 29.520 29.762 -0.136 0.000 1.388 463 H HN 0.525 nan 8.280 nan 0.000 0.526 464 S N 0.173 115.853 115.700 -0.033 0.000 2.539 464 S HA -0.007 4.463 4.470 -0.000 0.000 0.221 464 S C 0.398 174.970 174.600 -0.047 0.000 0.987 464 S CA 0.141 58.330 58.200 -0.019 0.000 0.929 464 S CB 0.084 63.286 63.200 0.005 0.000 0.832 464 S HN 0.519 nan 8.310 nan 0.000 0.492 465 N N 2.869 121.512 118.700 -0.095 0.000 2.688 465 N HA -0.182 4.558 4.740 -0.000 0.000 0.258 465 N C -1.263 174.362 175.510 0.191 0.000 1.016 465 N CA 1.259 54.377 53.050 0.113 0.000 0.747 465 N CB -1.248 37.309 38.487 0.116 0.000 0.895 465 N HN 0.669 nan 8.380 nan 0.000 0.543 466 D N -1.877 118.589 120.400 0.109 0.000 2.692 466 D HA 0.484 5.124 4.640 -0.000 0.000 0.290 466 D C -1.147 175.177 176.300 0.041 0.000 1.281 466 D CA -0.643 53.462 54.000 0.176 0.000 0.804 466 D CB -0.215 40.671 40.800 0.144 0.000 1.331 466 D HN 0.116 nan 8.370 nan 0.000 0.432 467 W N 0.266 121.659 121.300 0.155 0.000 2.573 467 W HA 0.702 5.362 4.660 -0.000 0.000 0.326 467 W C 0.644 177.209 176.519 0.075 0.000 1.049 467 W CA -0.488 56.928 57.345 0.117 0.000 1.220 467 W CB 1.623 31.121 29.460 0.063 0.000 1.373 467 W HN 0.624 nan 8.180 nan 0.000 0.507 468 R N 1.717 122.357 120.500 0.233 0.000 2.766 468 R HA 0.975 5.315 4.340 -0.000 0.000 0.270 468 R C -0.718 175.681 176.300 0.164 0.000 1.035 468 R CA -1.255 54.944 56.100 0.165 0.000 0.911 468 R CB 1.628 31.986 30.300 0.095 0.000 1.243 468 R HN 0.656 nan 8.270 nan 0.000 0.460 469 G N 0.133 109.008 108.800 0.126 0.000 2.579 469 G HA2 0.296 4.256 3.960 -0.000 0.000 0.292 469 G HA3 0.296 4.256 3.960 -0.000 0.000 0.292 469 G C -1.962 172.986 174.900 0.081 0.000 1.484 469 G CA -1.147 44.030 45.100 0.129 0.000 0.813 469 G HN 0.549 nan 8.290 nan 0.000 0.515 470 N N 0.092 118.831 118.700 0.066 0.000 2.527 470 N HA 0.483 5.223 4.740 -0.000 0.000 0.236 470 N C -0.352 175.174 175.510 0.026 0.000 0.999 470 N CA -0.390 52.684 53.050 0.040 0.000 0.935 470 N CB 2.200 40.699 38.487 0.019 0.000 1.132 470 N HN 0.318 nan 8.380 nan 0.000 0.511 471 V N 2.163 122.086 119.914 0.014 0.000 2.472 471 V HA 0.315 4.435 4.120 -0.000 0.000 0.290 471 V C 0.308 176.376 176.094 -0.044 0.000 1.037 471 V CA -0.939 61.349 62.300 -0.021 0.000 0.908 471 V CB 1.821 33.611 31.823 -0.056 0.000 0.985 471 V HN 0.258 nan 8.190 nan 0.000 0.454 472 V N 6.140 126.018 119.914 -0.060 0.000 2.455 472 V HA 0.315 4.435 4.120 -0.000 0.000 0.273 472 V C -0.084 175.928 176.094 -0.137 0.000 1.045 472 V CA -0.102 62.147 62.300 -0.084 0.000 0.976 472 V CB 0.930 32.713 31.823 -0.065 0.000 0.993 472 V HN 0.483 nan 8.190 nan 0.000 0.475 473 L N 7.805 128.930 121.223 -0.164 0.000 2.323 473 L HA 0.675 5.015 4.340 -0.000 0.000 0.265 473 L C -2.394 174.325 176.870 -0.251 0.000 1.012 473 L CA -2.400 52.309 54.840 -0.218 0.000 0.820 473 L CB 2.480 44.414 42.059 -0.208 0.000 1.334 473 L HN 0.369 nan 8.230 nan 0.000 0.427 474 P HA 0.207 nan 4.420 nan 0.000 0.281 474 P C -0.903 176.250 177.300 -0.245 0.000 1.286 474 P CA -0.373 62.549 63.100 -0.296 0.000 0.772 474 P CB 0.807 32.288 31.700 -0.365 0.000 0.862 475 A N 4.086 126.779 122.820 -0.212 0.000 2.498 475 A HA 0.055 4.375 4.320 -0.000 0.000 0.239 475 A C 0.915 178.393 177.584 -0.176 0.000 1.068 475 A CA 0.028 51.944 52.037 -0.201 0.000 0.766 475 A CB -0.750 18.154 19.000 -0.160 0.000 1.003 475 A HN 0.695 nan 8.150 nan 0.000 0.497 476 E N -0.673 119.419 120.200 -0.180 0.000 2.883 476 E HA -0.191 4.158 4.350 -0.000 0.000 0.271 476 E C -0.282 176.249 176.600 -0.115 0.000 1.049 476 E CA 0.752 57.071 56.400 -0.134 0.000 0.817 476 E CB -0.928 28.711 29.700 -0.101 0.000 1.407 476 E HN 0.603 nan 8.360 nan 0.000 0.434 477 R N 0.671 121.091 120.500 -0.134 0.000 2.664 477 R HA 0.365 4.705 4.340 -0.000 0.000 0.286 477 R C -0.021 176.240 176.300 -0.066 0.000 0.967 477 R CA -0.941 55.094 56.100 -0.107 0.000 0.933 477 R CB 0.794 31.006 30.300 -0.147 0.000 1.146 477 R HN -0.016 nan 8.270 nan 0.000 0.468 478 N N 2.648 121.333 118.700 -0.026 0.000 2.458 478 N HA 0.286 5.025 4.740 -0.000 0.000 0.270 478 N C 0.059 175.592 175.510 0.038 0.000 1.102 478 N CA -0.081 52.986 53.050 0.029 0.000 0.967 478 N CB 0.880 39.389 38.487 0.037 0.000 1.078 478 N HN 0.473 nan 8.380 nan 0.000 0.471 479 I N -1.798 118.835 120.570 0.105 0.000 2.689 479 I HA 0.590 4.760 4.170 -0.000 0.000 0.299 479 I C -0.506 175.732 176.117 0.201 0.000 1.059 479 I CA -0.805 60.566 61.300 0.118 0.000 1.055 479 I CB 2.521 40.589 38.000 0.113 0.000 1.243 479 I HN 0.036 nan 8.210 nan 0.000 0.425 480 E N 4.798 125.096 120.200 0.162 0.000 2.238 480 E HA 0.644 4.994 4.350 -0.000 0.000 0.267 480 E C -1.464 175.241 176.600 0.174 0.000 0.887 480 E CA -0.405 56.097 56.400 0.170 0.000 0.769 480 E CB 3.011 32.852 29.700 0.235 0.000 1.187 480 E HN 0.681 nan 8.360 nan 0.000 0.416 481 F N -0.857 119.114 119.950 0.035 0.000 2.817 481 F HA 0.663 5.190 4.527 -0.001 0.000 0.317 481 F C -1.456 174.468 175.800 0.206 0.000 1.168 481 F CA -1.016 56.978 58.000 -0.010 0.000 0.911 481 F CB 1.606 40.546 39.000 -0.101 0.000 1.337 481 F HN 0.110 nan 8.300 nan 0.000 0.464 482 K N 1.051 121.755 120.400 0.508 0.000 2.562 482 K HA 0.737 5.057 4.320 -0.000 0.000 0.267 482 K C -1.387 175.567 176.600 0.589 0.000 0.938 482 K CA -0.925 55.624 56.287 0.437 0.000 0.840 482 K CB 2.686 35.462 32.500 0.461 0.000 1.390 482 K HN 1.027 nan 8.250 nan 0.000 0.428 483 A N 1.939 125.011 122.820 0.419 0.000 2.286 483 A HA 0.847 5.167 4.320 -0.000 0.000 0.286 483 A C -0.781 177.063 177.584 0.434 0.000 1.097 483 A CA -0.300 51.957 52.037 0.368 0.000 0.821 483 A CB 0.035 19.253 19.000 0.364 0.000 1.076 483 A HN 0.601 nan 8.150 nan 0.000 0.490 484 F N -1.351 118.710 119.950 0.186 0.000 2.668 484 F HA 0.782 5.309 4.527 -0.000 0.000 0.309 484 F C -1.177 174.624 175.800 0.001 0.000 1.117 484 F CA -1.298 56.699 58.000 -0.006 0.000 0.951 484 F CB 0.992 39.449 39.000 -0.904 0.000 1.323 484 F HN 0.394 nan 8.300 nan 0.000 0.451 485 I N 2.033 122.666 120.570 0.104 0.000 2.460 485 I HA 0.460 4.630 4.170 -0.000 0.000 0.298 485 I C -0.630 175.484 176.117 -0.005 0.000 0.989 485 I CA -0.878 60.333 61.300 -0.150 0.000 1.173 485 I CB 2.051 39.883 38.000 -0.280 0.000 1.338 485 I HN 0.658 nan 8.210 nan 0.000 0.456 486 K N 3.732 124.113 120.400 -0.031 0.000 2.345 486 K HA 0.478 4.798 4.320 -0.000 0.000 0.255 486 K C -0.647 175.943 176.600 -0.018 0.000 0.934 486 K CA -0.453 55.842 56.287 0.013 0.000 0.801 486 K CB 1.565 34.072 32.500 0.011 0.000 1.137 486 K HN 0.680 nan 8.250 nan 0.000 0.424 487 S N 2.366 118.053 115.700 -0.022 0.000 2.580 487 S HA -0.015 4.455 4.470 -0.000 0.000 0.266 487 S C 1.126 175.723 174.600 -0.005 0.000 1.354 487 S CA -0.367 57.819 58.200 -0.023 0.000 1.008 487 S CB 1.103 64.291 63.200 -0.019 0.000 0.898 487 S HN 0.737 nan 8.310 nan 0.000 0.555 488 K N 1.280 121.678 120.400 -0.004 0.000 2.113 488 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 488 K C 1.287 177.895 176.600 0.013 0.000 1.047 488 K CA 1.844 58.137 56.287 0.009 0.000 0.928 488 K CB -0.202 32.302 32.500 0.007 0.000 0.716 488 K HN 0.767 nan 8.250 nan 0.000 0.446 489 D N -1.288 119.115 120.400 0.006 0.000 2.349 489 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 489 D C 0.793 177.094 176.300 0.002 0.000 1.029 489 D CA 0.935 54.939 54.000 0.006 0.000 0.879 489 D CB 0.216 41.017 40.800 0.002 0.000 0.906 489 D HN 0.389 nan 8.370 nan 0.000 0.528 490 G N 0.786 109.586 108.800 -0.000 0.000 2.165 490 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.226 490 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.226 490 G C 0.189 175.068 174.900 -0.034 0.000 1.035 490 G CA 0.259 45.350 45.100 -0.014 0.000 0.744 490 G HN 0.704 nan 8.290 nan 0.000 0.501 491 T N -2.279 112.257 114.554 -0.029 0.000 2.856 491 T HA 0.672 5.022 4.350 -0.000 0.000 0.283 491 T C 0.226 174.898 174.700 -0.046 0.000 1.008 491 T CA -0.584 61.492 62.100 -0.040 0.000 0.997 491 T CB 2.630 71.482 68.868 -0.026 0.000 0.992 491 T HN 0.872 nan 8.240 nan 0.000 0.454 492 V N 3.893 123.758 119.914 -0.080 0.000 2.458 492 V HA 0.077 4.196 4.120 -0.000 0.000 0.287 492 V C 1.627 177.682 176.094 -0.065 0.000 1.009 492 V CA 0.181 62.411 62.300 -0.118 0.000 1.091 492 V CB 0.113 31.767 31.823 -0.281 0.000 0.960 492 V HN 0.979 nan 8.190 nan 0.000 0.476 493 K N 2.640 123.017 120.400 -0.038 0.000 2.099 493 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 493 K C 0.732 177.358 176.600 0.044 0.000 1.047 493 K CA 1.120 57.404 56.287 -0.004 0.000 0.963 493 K CB 0.379 32.866 32.500 -0.021 0.000 0.759 493 K HN 0.886 nan 8.250 nan 0.000 0.451 494 S N -2.062 113.681 115.700 0.072 0.000 2.643 494 S HA 0.432 4.902 4.470 -0.000 0.000 0.270 494 S C -1.736 173.001 174.600 0.228 0.000 1.166 494 S CA -1.154 57.181 58.200 0.225 0.000 0.815 494 S CB 0.811 64.246 63.200 0.392 0.000 1.139 494 S HN 0.233 nan 8.310 nan 0.000 0.472 495 W N 0.778 122.214 121.300 0.227 0.000 2.799 495 W HA 0.596 5.256 4.660 -0.000 0.000 0.349 495 W C 0.064 176.166 176.519 -0.695 0.000 1.100 495 W CA -0.599 56.729 57.345 -0.029 0.000 1.174 495 W CB 1.589 31.006 29.460 -0.072 0.000 1.427 495 W HN 0.891 nan 8.180 nan 0.000 0.547 496 Q N 0.938 120.296 119.800 -0.736 0.000 2.364 496 Q HA 0.049 4.388 4.340 -0.000 0.000 0.267 496 Q C 0.892 176.548 176.000 -0.573 0.000 0.999 496 Q CA 0.663 55.712 55.803 -1.256 0.000 0.886 496 Q CB 1.268 29.655 28.738 -0.585 0.000 1.243 496 Q HN 0.660 nan 8.270 nan 0.000 0.415 497 T N 3.690 117.905 114.554 -0.564 0.000 2.607 497 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 497 T C 0.754 175.337 174.700 -0.194 0.000 1.049 497 T CA 0.917 62.850 62.100 -0.278 0.000 1.162 497 T CB 0.055 68.807 68.868 -0.194 0.000 0.863 497 T HN 0.476 nan 8.240 nan 0.000 0.424 498 I N 1.576 122.041 120.570 -0.175 0.000 2.392 498 I HA 0.337 4.506 4.170 -0.000 0.000 0.295 498 I C 0.262 176.293 176.117 -0.143 0.000 0.985 498 I CA -1.071 60.148 61.300 -0.136 0.000 1.221 498 I CB 1.074 39.011 38.000 -0.104 0.000 1.366 498 I HN 0.267 nan 8.210 nan 0.000 0.467 499 Q N 5.028 124.749 119.800 -0.131 0.000 2.297 499 Q HA 0.091 4.431 4.340 -0.000 0.000 0.267 499 Q C -0.582 175.308 176.000 -0.182 0.000 1.006 499 Q CA -0.251 55.481 55.803 -0.118 0.000 0.896 499 Q CB 0.804 29.496 28.738 -0.076 0.000 1.186 499 Q HN 0.404 nan 8.270 nan 0.000 0.392 500 Q N 1.541 121.118 119.800 -0.372 0.000 2.256 500 Q HA 0.505 4.845 4.340 -0.000 0.000 0.232 500 Q C -0.697 174.973 176.000 -0.550 0.000 0.965 500 Q CA -0.239 55.206 55.803 -0.596 0.000 0.908 500 Q CB 1.895 29.898 28.738 -1.226 0.000 1.209 500 Q HN 0.844 nan 8.270 nan 0.000 0.489 501 S N -1.000 114.516 115.700 -0.307 0.000 2.588 501 S HA 0.622 5.092 4.470 -0.000 0.000 0.269 501 S C -1.865 172.883 174.600 0.246 0.000 1.157 501 S CA -0.924 57.284 58.200 0.013 0.000 0.824 501 S CB 1.413 64.649 63.200 0.061 0.000 1.126 501 S HN 0.578 nan 8.310 nan 0.000 0.464 502 W N 2.143 123.552 121.300 0.181 0.000 2.664 502 W HA 0.477 5.137 4.660 -0.001 0.000 0.314 502 W C -1.684 174.896 176.519 0.102 0.000 1.010 502 W CA -1.218 56.242 57.345 0.192 0.000 1.306 502 W CB 0.909 30.483 29.460 0.192 0.000 1.254 502 W HN 0.893 nan 8.180 nan 0.000 0.404 503 N N 5.912 124.819 118.700 0.345 0.000 2.706 503 N HA 0.388 5.128 4.740 -0.000 0.000 0.240 503 N C -2.344 173.242 175.510 0.127 0.000 1.039 503 N CA -0.821 52.335 53.050 0.178 0.000 0.888 503 N CB 1.835 40.401 38.487 0.131 0.000 1.128 503 N HN 0.041 nan 8.380 nan 0.000 0.512 504 P HA 0.349 nan 4.420 nan 0.000 0.288 504 P C -0.468 176.756 177.300 -0.127 0.000 1.297 504 P CA -0.613 62.489 63.100 0.002 0.000 0.864 504 P CB 1.124 32.800 31.700 -0.041 0.000 1.237 505 V N 2.941 122.702 119.914 -0.255 0.000 2.540 505 V HA 0.085 4.205 4.120 -0.000 0.000 0.297 505 V C -1.645 174.114 176.094 -0.558 0.000 1.024 505 V CA -0.776 61.127 62.300 -0.662 0.000 1.105 505 V CB -0.151 31.365 31.823 -0.512 0.000 0.938 505 V HN 0.617 nan 8.190 nan 0.000 0.482 506 P HA 0.006 nan 4.420 nan 0.000 0.269 506 P C 0.431 177.558 177.300 -0.287 0.000 1.209 506 P CA -0.302 62.582 63.100 -0.359 0.000 0.776 506 P CB 1.026 32.562 31.700 -0.275 0.000 0.876 507 L N 1.906 123.024 121.223 -0.176 0.000 2.552 507 L HA 0.016 4.355 4.340 -0.000 0.000 0.227 507 L C 0.683 177.488 176.870 -0.109 0.000 1.146 507 L CA 1.369 56.129 54.840 -0.134 0.000 0.858 507 L CB -0.731 41.273 42.059 -0.092 0.000 0.969 507 L HN 0.305 nan 8.230 nan 0.000 0.451 508 K N -0.811 119.527 120.400 -0.103 0.000 2.378 508 K HA 0.382 4.702 4.320 -0.000 0.000 0.252 508 K C -0.471 176.090 176.600 -0.064 0.000 0.931 508 K CA -0.613 55.634 56.287 -0.067 0.000 0.794 508 K CB 0.263 32.741 32.500 -0.037 0.000 1.181 508 K HN -0.205 nan 8.250 nan 0.000 0.425 509 T N 2.646 117.175 114.554 -0.042 0.000 2.905 509 T HA 0.110 4.459 4.350 -0.000 0.000 0.299 509 T C 0.479 175.199 174.700 0.033 0.000 1.024 509 T CA 0.679 62.771 62.100 -0.013 0.000 1.151 509 T CB -0.011 68.855 68.868 -0.004 0.000 0.987 509 T HN 0.834 nan 8.240 nan 0.000 0.535 510 T N -0.486 114.125 114.554 0.095 0.000 2.611 510 T HA 0.750 5.100 4.350 -0.000 0.000 0.269 510 T C -0.707 174.149 174.700 0.261 0.000 1.032 510 T CA -0.491 61.708 62.100 0.166 0.000 1.178 510 T CB 1.283 70.282 68.868 0.219 0.000 1.651 510 T HN 0.744 nan 8.240 nan 0.000 0.456 511 S N -0.178 115.722 115.700 0.333 0.000 2.570 511 S HA 0.601 5.071 4.470 -0.000 0.000 0.270 511 S C -1.720 172.980 174.600 0.166 0.000 1.149 511 S CA -0.860 57.521 58.200 0.301 0.000 0.837 511 S CB 1.676 64.967 63.200 0.152 0.000 1.124 511 S HN 1.108 nan 8.310 nan 0.000 0.465 512 H N 0.985 119.945 119.070 -0.184 0.000 2.727 512 H HA 0.589 5.145 4.556 -0.000 0.000 0.330 512 H C -1.263 173.958 175.328 -0.177 0.000 0.986 512 H CA -0.028 55.726 56.048 -0.490 0.000 1.251 512 H CB 1.484 30.518 29.762 -1.212 0.000 1.493 512 H HN 0.789 nan 8.280 nan 0.000 0.515 513 T N 3.649 118.122 114.554 -0.134 0.000 2.856 513 T HA 0.519 4.869 4.350 -0.000 0.000 0.283 513 T C -0.473 174.219 174.700 -0.013 0.000 1.008 513 T CA -0.710 61.397 62.100 0.012 0.000 0.997 513 T CB 1.431 70.300 68.868 0.002 0.000 0.992 513 T HN 0.683 nan 8.240 nan 0.000 0.454 514 S N 0.995 116.755 115.700 0.100 0.000 2.625 514 S HA 0.782 5.252 4.470 -0.000 0.000 0.271 514 S C -0.939 173.737 174.600 0.125 0.000 1.161 514 S CA -0.946 57.305 58.200 0.085 0.000 0.820 514 S CB 1.668 64.944 63.200 0.127 0.000 1.137 514 S HN 0.487 nan 8.310 nan 0.000 0.470 515 S N 0.719 116.484 115.700 0.108 0.000 2.593 515 S HA 0.518 4.988 4.470 -0.000 0.000 0.297 515 S C -0.427 174.295 174.600 0.202 0.000 1.112 515 S CA -0.776 57.520 58.200 0.161 0.000 1.043 515 S CB 0.686 63.958 63.200 0.120 0.000 1.054 515 S HN 0.646 nan 8.310 nan 0.000 0.516 516 W N 0.000 121.339 121.300 0.065 0.000 2.388 516 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 516 W CA 0.000 57.383 57.345 0.063 0.000 1.226 516 W CB 0.000 29.492 29.460 0.054 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535