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 3cmm_1_C DATA FIRST_RESID 11 DATA SEQUENCE AGEIDESLYS RQLYVLGKEA MLKMQTSNVL ILGLKGLGVE IAKNVVLAGV DATA SEQUENCE KSMTVFDPEP VQLADLSTQF FLTEKDIGQK RGDVTRAKLA ELNAYVPVNV DATA SEQUENCE LDSLDDVTQL SQFQVVVATD TVSLEDKVKI NEFCHSSGIR FISSETRGLF DATA SEQUENCE GNTFVDLGDE FTVLDPTGEE PRTGMVSDIE PDGTVTMLDD NRHGLEDGNF DATA SEQUENCE VRFSEVEGLD KLNDGTLFKV EVLGPFAFRI GSVKEYGEYK KGGIFTEVKV DATA SEQUENCE PRKISFKSLK QQLSNPEFVF SDFAKFDRAA QLHLGFQALH QFAVRHNGEL DATA SEQUENCE PRTMNDEDAN ELIKLVTDLS VQQPEVLGEG VDVNEDLIKE LSYQARGDIP DATA SEQUENCE GVVAFFGGLV AQEVLKACSG KFTPLKQFMY FDSLESLPDP KNFPRNEKTT DATA SEQUENCE QPVNSRYDNQ IAVFGLDFQK KIANSKVFLV GSGAIGCEML KNWALLGLGS DATA SEQUENCE GSDGYIVVTD NDSIEKSNLN RQFLFRPKDV GKNKSEVAAE AVCAMNPDLK DATA SEQUENCE GKINAKIDKV GPETEEIFND SFWESLDFVT NALDNVDART YVDRRCVFYR DATA SEQUENCE KPLLESGTLG TKGNTQVIIP RLTESYSSSR DPPEKSIPLC TLRSFPNKID DATA SEQUENCE HTIAWAKSLF QGYFTDSAEN VNMYLTQPNF VEQTLKQSGD VKGVLESISD DATA SEQUENCE SLSSKPHNFE DCIKWARLEF EKKFNHDIKQ LLFNFPKDAK TSNGEPFWSG DATA SEQUENCE AKRAPTPLEF DIYNNDHFHF VVAGASLRAY NYGIKSDDSN SKPNVDEYKS DATA SEQUENCE VIDHMIIPEF TPNANLKIQV NDDDPXXXXX XXXGSDEIDQ LVSSLPDPST DATA SEQUENCE LAGFKLEPVD FEKDDDTNHH IEFITACSNC RAQNYFIETA DRQKTKFIAG DATA SEQUENCE RIIPAIATTT SLVTGLVNLE LYKLIDNKTD IEQYKNGFVN LALPFFGFSE DATA SEQUENCE PIASPKGEYN NKKYDKIWDR FDIKGDIKLS DLIEHFEKDE GLEITMLSYG DATA SEQUENCE VSLLYASFFP PKKLKERLNL PITQLVKLVT KKDIPAHVST MILEICADDK DATA SEQUENCE EGEDVEVPFI TIHL 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.562 177.584 -0.036 0.000 1.274 11 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 11 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 12 G N 0.595 109.374 108.800 -0.035 0.000 3.061 12 G HA2 0.220 4.268 3.960 0.147 0.000 0.208 12 G HA3 0.220 4.268 3.960 0.147 0.000 0.208 12 G C 0.347 175.214 174.900 -0.054 0.000 1.175 12 G CA 0.446 45.518 45.100 -0.047 0.000 0.812 12 G HN 0.774 nan 8.290 nan 0.000 0.523 13 E N 0.919 121.087 120.200 -0.054 0.000 2.159 13 E HA 0.218 4.656 4.350 0.147 0.000 0.272 13 E C -0.320 176.221 176.600 -0.099 0.000 1.138 13 E CA -0.468 55.897 56.400 -0.059 0.000 0.915 13 E CB 0.116 29.792 29.700 -0.040 0.000 1.028 13 E HN 0.342 nan 8.360 nan 0.000 0.423 14 I N 1.865 122.390 120.570 -0.075 0.000 2.337 14 I HA 0.209 4.468 4.170 0.147 0.000 0.285 14 I C -0.034 176.088 176.117 0.009 0.000 1.041 14 I CA -0.821 60.441 61.300 -0.062 0.000 1.199 14 I CB 1.158 39.105 38.000 -0.087 0.000 1.370 14 I HN 0.158 nan 8.210 nan 0.000 0.470 15 D N 6.319 126.747 120.400 0.047 0.000 2.380 15 D HA -0.076 4.653 4.640 0.147 0.000 0.270 15 D C 1.334 177.691 176.300 0.096 0.000 1.363 15 D CA 0.281 54.313 54.000 0.054 0.000 1.057 15 D CB 0.755 41.564 40.800 0.016 0.000 1.096 15 D HN 0.842 nan 8.370 nan 0.000 0.524 16 E N 1.528 121.756 120.200 0.046 0.000 2.204 16 E HA -0.184 4.254 4.350 0.147 0.000 0.194 16 E C 1.236 177.846 176.600 0.015 0.000 0.989 16 E CA 0.862 57.275 56.400 0.023 0.000 0.824 16 E CB -0.109 29.585 29.700 -0.011 0.000 0.756 16 E HN 0.366 nan 8.360 nan 0.000 0.477 17 S N 0.850 116.555 115.700 0.008 0.000 2.423 17 S HA -0.121 4.437 4.470 0.147 0.000 0.231 17 S C 1.935 176.519 174.600 -0.026 0.000 1.014 17 S CA 0.913 59.112 58.200 -0.002 0.000 0.965 17 S CB -0.232 62.966 63.200 -0.003 0.000 0.785 17 S HN 0.294 nan 8.310 nan 0.000 0.495 18 L N -0.171 121.003 121.223 -0.081 0.000 2.221 18 L HA 0.369 4.798 4.340 0.147 0.000 0.202 18 L C 1.594 178.333 176.870 -0.217 0.000 1.074 18 L CA 1.280 55.993 54.840 -0.211 0.000 0.795 18 L CB -0.360 41.463 42.059 -0.393 0.000 0.960 18 L HN 0.269 nan 8.230 nan 0.000 0.458 19 Y N -1.463 118.836 120.300 -0.002 0.000 2.457 19 Y HA 0.140 4.778 4.550 0.146 0.000 0.263 19 Y C 2.468 178.323 175.900 -0.076 0.000 1.164 19 Y CA 0.431 58.511 58.100 -0.034 0.000 1.274 19 Y CB 0.063 38.480 38.460 -0.071 0.000 1.097 19 Y HN 0.212 nan 8.280 nan 0.000 0.523 20 S N 1.058 116.785 115.700 0.044 0.000 2.420 20 S HA -0.352 4.206 4.470 0.147 0.000 0.278 20 S C 2.325 176.897 174.600 -0.047 0.000 1.111 20 S CA 2.277 60.455 58.200 -0.037 0.000 1.315 20 S CB -0.103 63.148 63.200 0.086 0.000 1.226 20 S HN 0.407 nan 8.310 nan 0.000 0.444 21 R N 0.791 121.376 120.500 0.142 0.000 2.115 21 R HA -0.036 4.392 4.340 0.147 0.000 0.230 21 R C 2.562 178.972 176.300 0.183 0.000 1.111 21 R CA 1.634 57.886 56.100 0.254 0.000 0.976 21 R CB -1.089 29.341 30.300 0.217 0.000 0.870 21 R HN 0.769 nan 8.270 nan 0.000 0.445 22 Q N 0.563 120.433 119.800 0.117 0.000 2.123 22 Q HA -0.077 4.351 4.340 0.147 0.000 0.199 22 Q C 1.906 177.908 176.000 0.003 0.000 0.966 22 Q CA 0.725 56.584 55.803 0.094 0.000 0.845 22 Q CB -0.019 28.799 28.738 0.135 0.000 0.907 22 Q HN 0.111 nan 8.270 nan 0.000 0.439 23 L N 0.238 121.395 121.223 -0.109 0.000 2.187 23 L HA -0.161 4.267 4.340 0.147 0.000 0.213 23 L C 1.278 177.969 176.870 -0.298 0.000 1.100 23 L CA 1.692 56.380 54.840 -0.254 0.000 0.765 23 L CB -0.402 41.444 42.059 -0.354 0.000 0.904 23 L HN 0.348 nan 8.230 nan 0.000 0.437 24 Y N -2.776 117.497 120.300 -0.046 0.000 2.544 24 Y HA -0.029 4.609 4.550 0.146 0.000 0.286 24 Y C 2.074 177.929 175.900 -0.075 0.000 1.141 24 Y CA 0.189 58.193 58.100 -0.159 0.000 1.299 24 Y CB 0.042 38.366 38.460 -0.225 0.000 1.030 24 Y HN -0.006 nan 8.280 nan 0.000 0.543 25 V N -0.753 119.241 119.914 0.132 0.000 2.403 25 V HA -0.066 4.142 4.120 0.147 0.000 0.239 25 V C 0.520 176.713 176.094 0.166 0.000 1.041 25 V CA 0.640 63.045 62.300 0.176 0.000 1.051 25 V CB -0.280 31.657 31.823 0.188 0.000 0.704 25 V HN -0.003 nan 8.190 nan 0.000 0.472 26 L N 0.282 121.540 121.223 0.058 0.000 2.379 26 L HA 0.636 5.064 4.340 0.147 0.000 0.269 26 L C 0.809 177.614 176.870 -0.109 0.000 1.084 26 L CA 0.234 55.028 54.840 -0.078 0.000 0.802 26 L CB 0.131 42.130 42.059 -0.100 0.000 1.175 26 L HN 0.208 nan 8.230 nan 0.000 0.448 27 G N 0.216 108.930 108.800 -0.144 0.000 2.535 27 G HA2 0.216 4.264 3.960 0.147 0.000 0.282 27 G HA3 0.216 4.264 3.960 0.147 0.000 0.282 27 G C 0.736 175.550 174.900 -0.143 0.000 1.350 27 G CA -0.326 44.698 45.100 -0.127 0.000 1.039 27 G HN 0.669 nan 8.290 nan 0.000 0.509 28 K N -0.500 119.823 120.400 -0.127 0.000 2.057 28 K HA -0.093 4.315 4.320 0.147 0.000 0.207 28 K C 2.228 178.753 176.600 -0.124 0.000 1.049 28 K CA 1.656 57.867 56.287 -0.127 0.000 0.931 28 K CB -0.157 32.284 32.500 -0.098 0.000 0.714 28 K HN 0.619 nan 8.250 nan 0.000 0.440 29 E N -0.201 119.931 120.200 -0.112 0.000 2.106 29 E HA -0.160 4.278 4.350 0.147 0.000 0.192 29 E C 1.888 178.415 176.600 -0.122 0.000 0.984 29 E CA 0.922 57.258 56.400 -0.108 0.000 0.806 29 E CB -0.041 29.602 29.700 -0.095 0.000 0.750 29 E HN 0.388 nan 8.360 nan 0.000 0.458 30 A N 0.819 123.553 122.820 -0.142 0.000 1.930 30 A HA -0.132 4.276 4.320 0.147 0.000 0.217 30 A C 2.085 179.582 177.584 -0.146 0.000 1.175 30 A CA 1.131 53.077 52.037 -0.151 0.000 0.627 30 A CB -0.291 18.593 19.000 -0.193 0.000 0.815 30 A HN 0.136 nan 8.150 nan 0.000 0.443 31 M N -0.713 118.786 119.600 -0.168 0.000 2.349 31 M HA 0.060 4.629 4.480 0.147 0.000 0.266 31 M C 1.855 178.047 176.300 -0.179 0.000 1.076 31 M CA 0.759 55.936 55.300 -0.205 0.000 1.126 31 M CB -0.253 32.174 32.600 -0.288 0.000 1.392 31 M HN 0.355 nan 8.290 nan 0.000 0.440 32 L N -0.217 120.919 121.223 -0.145 0.000 2.093 32 L HA -0.201 4.227 4.340 0.147 0.000 0.208 32 L C 2.325 179.139 176.870 -0.094 0.000 1.085 32 L CA 1.283 56.055 54.840 -0.114 0.000 0.755 32 L CB -0.532 41.469 42.059 -0.097 0.000 0.904 32 L HN 0.248 nan 8.230 nan 0.000 0.435 33 K N -0.204 120.140 120.400 -0.093 0.000 2.025 33 K HA -0.136 4.272 4.320 0.147 0.000 0.207 33 K C 2.155 178.717 176.600 -0.062 0.000 1.049 33 K CA 1.388 57.630 56.287 -0.075 0.000 0.933 33 K CB -0.140 32.314 32.500 -0.078 0.000 0.714 33 K HN 0.169 nan 8.250 nan 0.000 0.438 34 M N 0.707 120.260 119.600 -0.077 0.000 2.195 34 M HA -0.244 4.324 4.480 0.147 0.000 0.260 34 M C 1.788 178.057 176.300 -0.051 0.000 1.066 34 M CA 1.642 56.904 55.300 -0.063 0.000 1.089 34 M CB -0.024 32.521 32.600 -0.091 0.000 1.377 34 M HN 0.148 nan 8.290 nan 0.000 0.411 35 Q N -1.029 118.728 119.800 -0.071 0.000 2.451 35 Q HA -0.042 4.386 4.340 0.147 0.000 0.206 35 Q C 1.397 177.383 176.000 -0.024 0.000 0.947 35 Q CA 1.297 57.069 55.803 -0.051 0.000 0.937 35 Q CB 0.133 28.823 28.738 -0.080 0.000 1.025 35 Q HN 0.568 nan 8.270 nan 0.000 0.511 36 T N -3.691 110.848 114.554 -0.025 0.000 3.134 36 T HA 0.252 4.690 4.350 0.147 0.000 0.260 36 T C 0.371 175.073 174.700 0.003 0.000 1.027 36 T CA -0.453 61.639 62.100 -0.013 0.000 0.913 36 T CB 0.532 69.385 68.868 -0.025 0.000 1.046 36 T HN -0.185 nan 8.240 nan 0.000 0.553 37 S N 3.018 118.727 115.700 0.014 0.000 2.433 37 S HA 0.451 5.009 4.470 0.147 0.000 0.310 37 S C -0.358 174.286 174.600 0.072 0.000 1.097 37 S CA -0.888 57.335 58.200 0.038 0.000 1.103 37 S CB 0.625 63.843 63.200 0.030 0.000 0.992 37 S HN 0.432 nan 8.310 nan 0.000 0.469 38 N N 2.331 121.097 118.700 0.111 0.000 2.434 38 N HA 0.339 5.167 4.740 0.147 0.000 0.272 38 N C -0.890 174.787 175.510 0.278 0.000 1.040 38 N CA -0.261 52.910 53.050 0.203 0.000 0.956 38 N CB 1.608 40.216 38.487 0.201 0.000 1.108 38 N HN 0.235 nan 8.380 nan 0.000 0.481 39 V N 2.946 122.981 119.914 0.201 0.000 2.513 39 V HA 0.411 4.619 4.120 0.147 0.000 0.299 39 V C 0.110 176.132 176.094 -0.120 0.000 1.035 39 V CA -0.822 61.512 62.300 0.057 0.000 0.889 39 V CB 2.349 34.185 31.823 0.023 0.000 0.988 39 V HN 0.481 nan 8.190 nan 0.000 0.440 40 L N 5.794 126.799 121.223 -0.364 0.000 2.333 40 L HA 0.646 5.074 4.340 0.147 0.000 0.280 40 L C -1.090 175.617 176.870 -0.272 0.000 1.004 40 L CA -0.522 53.971 54.840 -0.580 0.000 0.820 40 L CB 1.626 43.009 42.059 -1.127 0.000 1.247 40 L HN 0.580 nan 8.230 nan 0.000 0.416 41 I N 5.465 125.939 120.570 -0.161 0.000 2.406 41 I HA 0.327 4.585 4.170 0.147 0.000 0.290 41 I C -0.548 175.569 176.117 -0.001 0.000 0.999 41 I CA -0.520 60.734 61.300 -0.076 0.000 1.124 41 I CB 1.910 39.884 38.000 -0.044 0.000 1.289 41 I HN 0.409 nan 8.210 nan 0.000 0.441 42 L N 6.381 127.621 121.223 0.029 0.000 2.265 42 L HA 0.693 5.121 4.340 0.147 0.000 0.289 42 L C 0.397 177.335 176.870 0.113 0.000 1.033 42 L CA -0.514 54.421 54.840 0.159 0.000 0.814 42 L CB 0.971 43.118 42.059 0.146 0.000 1.203 42 L HN 0.889 nan 8.230 nan 0.000 0.423 43 G N 3.252 112.105 108.800 0.089 0.000 3.190 43 G HA2 -0.100 3.948 3.960 0.147 0.000 0.686 43 G HA3 -0.100 3.948 3.960 0.147 0.000 0.686 43 G C -1.054 173.839 174.900 -0.013 0.000 1.033 43 G CA -0.917 44.192 45.100 0.014 0.000 0.797 43 G HN 0.429 nan 8.290 nan 0.000 0.567 44 L N 2.251 123.448 121.223 -0.043 0.000 3.193 44 L HA 0.374 4.802 4.340 0.147 0.000 0.305 44 L C 1.277 178.112 176.870 -0.059 0.000 1.299 44 L CA -0.348 54.463 54.840 -0.049 0.000 0.904 44 L CB 0.167 42.195 42.059 -0.051 0.000 1.331 44 L HN 0.646 nan 8.230 nan 0.000 0.588 45 K N -0.960 119.415 120.400 -0.042 0.000 2.400 45 K HA 0.252 4.661 4.320 0.147 0.000 0.253 45 K C 1.316 177.882 176.600 -0.056 0.000 1.076 45 K CA 0.377 56.641 56.287 -0.038 0.000 0.887 45 K CB 0.149 32.646 32.500 -0.006 0.000 1.168 45 K HN 0.220 nan 8.250 nan 0.000 0.505 46 G N 0.985 109.763 108.800 -0.036 0.000 2.491 46 G HA2 -0.267 3.782 3.960 0.147 0.000 0.218 46 G HA3 -0.267 3.782 3.960 0.147 0.000 0.218 46 G C 1.399 176.296 174.900 -0.005 0.000 1.180 46 G CA 0.975 46.053 45.100 -0.037 0.000 0.774 46 G HN 0.420 nan 8.290 nan 0.000 0.562 47 L N 1.707 122.950 121.223 0.033 0.000 2.013 47 L HA 0.029 4.457 4.340 0.147 0.000 0.212 47 L C 2.842 179.722 176.870 0.016 0.000 1.073 47 L CA 2.666 57.535 54.840 0.048 0.000 0.753 47 L CB -1.118 40.972 42.059 0.051 0.000 0.890 47 L HN 0.191 nan 8.230 nan 0.000 0.432 48 G N -1.472 107.324 108.800 -0.006 0.000 2.442 48 G HA2 -0.242 3.806 3.960 0.147 0.000 0.219 48 G HA3 -0.242 3.806 3.960 0.147 0.000 0.219 48 G C 1.651 176.535 174.900 -0.027 0.000 1.141 48 G CA 1.015 46.105 45.100 -0.017 0.000 0.763 48 G HN 0.371 nan 8.290 nan 0.000 0.554 49 V N -0.179 119.693 119.914 -0.069 0.000 2.591 49 V HA 0.010 4.218 4.120 0.147 0.000 0.249 49 V C 2.665 178.732 176.094 -0.044 0.000 1.053 49 V CA 1.755 63.986 62.300 -0.116 0.000 1.068 49 V CB 0.061 31.684 31.823 -0.332 0.000 0.689 49 V HN 0.242 nan 8.190 nan 0.000 0.462 50 E N 0.336 120.545 120.200 0.015 0.000 2.031 50 E HA -0.192 4.246 4.350 0.147 0.000 0.193 50 E C 2.080 178.689 176.600 0.015 0.000 0.994 50 E CA 2.014 58.461 56.400 0.078 0.000 0.800 50 E CB -0.327 29.426 29.700 0.088 0.000 0.752 50 E HN 0.658 nan 8.360 nan 0.000 0.447 51 I N 1.047 121.622 120.570 0.008 0.000 2.151 51 I HA -0.321 3.937 4.170 0.147 0.000 0.243 51 I C 2.540 178.659 176.117 0.003 0.000 1.080 51 I CA 1.419 62.715 61.300 -0.005 0.000 1.339 51 I CB -0.423 37.568 38.000 -0.015 0.000 1.039 51 I HN 0.020 nan 8.210 nan 0.000 0.409 52 A N 0.708 123.537 122.820 0.016 0.000 1.883 52 A HA -0.291 4.117 4.320 0.147 0.000 0.217 52 A C 2.422 180.047 177.584 0.068 0.000 1.186 52 A CA 2.173 54.234 52.037 0.040 0.000 0.624 52 A CB -0.664 18.367 19.000 0.053 0.000 0.822 52 A HN 0.417 nan 8.150 nan 0.000 0.444 53 K N -0.438 120.008 120.400 0.077 0.000 2.009 53 K HA -0.243 4.165 4.320 0.147 0.000 0.210 53 K C 1.701 178.315 176.600 0.022 0.000 1.049 53 K CA 1.857 58.187 56.287 0.071 0.000 0.929 53 K CB -0.336 32.137 32.500 -0.044 0.000 0.714 53 K HN 0.446 nan 8.250 nan 0.000 0.440 54 N N 0.536 119.225 118.700 -0.019 0.000 2.166 54 N HA -0.130 4.698 4.740 0.147 0.000 0.186 54 N C 1.890 177.418 175.510 0.029 0.000 1.019 54 N CA 1.305 54.348 53.050 -0.012 0.000 0.856 54 N CB -0.284 38.182 38.487 -0.034 0.000 0.993 54 N HN 0.068 nan 8.380 nan 0.000 0.426 55 V N 0.591 120.524 119.914 0.031 0.000 2.379 55 V HA -0.090 4.118 4.120 0.147 0.000 0.245 55 V C 2.436 178.571 176.094 0.068 0.000 1.044 55 V CA 0.866 63.190 62.300 0.039 0.000 1.036 55 V CB -0.392 31.444 31.823 0.022 0.000 0.664 55 V HN 0.030 nan 8.190 nan 0.000 0.453 56 V N -0.209 119.755 119.914 0.084 0.000 2.407 56 V HA -0.238 3.970 4.120 0.147 0.000 0.248 56 V C 2.325 178.507 176.094 0.146 0.000 1.055 56 V CA 1.824 64.193 62.300 0.115 0.000 1.049 56 V CB -0.421 31.477 31.823 0.124 0.000 0.662 56 V HN 0.430 nan 8.190 nan 0.000 0.455 57 L N -0.049 121.256 121.223 0.136 0.000 2.017 57 L HA -0.171 4.257 4.340 0.147 0.000 0.208 57 L C 2.689 179.689 176.870 0.216 0.000 1.073 57 L CA 1.661 56.599 54.840 0.163 0.000 0.745 57 L CB -0.721 41.413 42.059 0.124 0.000 0.894 57 L HN 0.377 nan 8.230 nan 0.000 0.432 58 A N -0.281 122.631 122.820 0.153 0.000 2.024 58 A HA 0.034 4.442 4.320 0.147 0.000 0.220 58 A C 1.343 178.982 177.584 0.091 0.000 1.164 58 A CA 1.107 53.219 52.037 0.124 0.000 0.643 58 A CB -0.769 18.265 19.000 0.056 0.000 0.806 58 A HN 0.589 nan 8.150 nan 0.000 0.451 59 G N -0.939 107.945 108.800 0.139 0.000 2.858 59 G HA2 0.167 4.215 3.960 0.147 0.000 0.266 59 G HA3 0.167 4.215 3.960 0.147 0.000 0.266 59 G C -0.191 174.715 174.900 0.010 0.000 1.023 59 G CA 0.044 45.214 45.100 0.115 0.000 1.172 59 G HN 1.638 nan 8.290 nan 0.000 0.523 60 V N -0.061 119.884 119.914 0.051 0.000 3.267 60 V HA 0.769 4.977 4.120 0.147 0.000 0.317 60 V C 1.794 177.920 176.094 0.053 0.000 1.131 60 V CA 0.073 62.392 62.300 0.032 0.000 1.031 60 V CB 1.613 33.460 31.823 0.041 0.000 1.159 60 V HN 0.609 nan 8.190 nan 0.000 0.454 61 K N 0.873 121.301 120.400 0.046 0.000 2.026 61 K HA -0.013 4.395 4.320 0.147 0.000 0.208 61 K C 0.694 177.342 176.600 0.080 0.000 1.048 61 K CA 1.733 58.053 56.287 0.055 0.000 0.929 61 K CB -0.088 32.438 32.500 0.042 0.000 0.713 61 K HN 1.140 nan 8.250 nan 0.000 0.439 62 S N -1.220 114.536 115.700 0.094 0.000 2.565 62 S HA 0.478 5.036 4.470 0.147 0.000 0.269 62 S C -1.284 173.389 174.600 0.121 0.000 1.153 62 S CA -1.197 57.069 58.200 0.110 0.000 0.835 62 S CB 1.446 64.715 63.200 0.115 0.000 1.122 62 S HN 0.107 nan 8.310 nan 0.000 0.462 63 M N 2.167 121.833 119.600 0.111 0.000 2.134 63 M HA 0.626 5.194 4.480 0.147 0.000 0.310 63 M C -1.243 175.114 176.300 0.095 0.000 0.966 63 M CA 0.229 55.583 55.300 0.090 0.000 0.922 63 M CB 1.451 34.095 32.600 0.074 0.000 1.537 63 M HN 0.799 nan 8.290 nan 0.000 0.424 64 T N 3.750 118.350 114.554 0.077 0.000 2.855 64 T HA 0.798 5.236 4.350 0.147 0.000 0.281 64 T C -1.235 173.463 174.700 -0.004 0.000 1.007 64 T CA -0.597 61.547 62.100 0.074 0.000 1.009 64 T CB 1.647 70.627 68.868 0.186 0.000 0.983 64 T HN 0.530 nan 8.240 nan 0.000 0.455 65 V N 3.251 123.194 119.914 0.049 0.000 2.638 65 V HA 0.640 4.848 4.120 0.147 0.000 0.306 65 V C -1.495 174.677 176.094 0.129 0.000 1.052 65 V CA -0.873 61.459 62.300 0.053 0.000 0.885 65 V CB 1.847 33.692 31.823 0.036 0.000 0.999 65 V HN 0.864 nan 8.190 nan 0.000 0.424 66 F N 4.998 124.924 119.950 -0.040 0.000 2.577 66 F HA 0.709 5.324 4.527 0.147 0.000 0.344 66 F C -0.859 174.933 175.800 -0.015 0.000 1.145 66 F CA -0.325 57.662 58.000 -0.021 0.000 0.996 66 F CB 1.211 40.195 39.000 -0.027 0.000 1.248 66 F HN 0.471 nan 8.300 nan 0.000 0.447 67 D N 8.507 128.560 120.400 -0.578 0.000 2.319 67 D HA 0.278 5.006 4.640 0.147 0.000 0.237 67 D C -2.418 173.577 176.300 -0.508 0.000 1.353 67 D CA -1.524 52.119 54.000 -0.594 0.000 0.992 67 D CB 2.372 43.021 40.800 -0.251 0.000 1.368 67 D HN 0.248 nan 8.370 nan 0.000 0.564 68 P HA 0.071 nan 4.420 nan 0.000 0.249 68 P C 0.107 177.297 177.300 -0.183 0.000 1.229 68 P CA 0.040 62.946 63.100 -0.324 0.000 0.788 68 P CB 0.680 32.211 31.700 -0.281 0.000 1.072 69 E N 2.179 122.271 120.200 -0.180 0.000 2.354 69 E HA 0.211 4.649 4.350 0.147 0.000 0.269 69 E C -2.110 174.446 176.600 -0.073 0.000 1.036 69 E CA -2.143 54.198 56.400 -0.099 0.000 0.876 69 E CB 0.409 30.060 29.700 -0.082 0.000 1.009 69 E HN 0.242 nan 8.360 nan 0.000 0.416 70 P HA 0.061 nan 4.420 nan 0.000 0.275 70 P C -0.127 177.155 177.300 -0.030 0.000 1.228 70 P CA -0.332 62.747 63.100 -0.035 0.000 0.786 70 P CB 0.687 32.373 31.700 -0.023 0.000 0.927 71 V N 3.936 123.834 119.914 -0.027 0.000 2.529 71 V HA 0.023 4.231 4.120 0.147 0.000 0.292 71 V C 0.881 176.967 176.094 -0.014 0.000 1.028 71 V CA 0.533 62.819 62.300 -0.022 0.000 1.074 71 V CB -0.521 31.290 31.823 -0.020 0.000 0.958 71 V HN 0.524 nan 8.190 nan 0.000 0.481 72 Q N 2.360 122.153 119.800 -0.012 0.000 2.348 72 Q HA 0.338 4.766 4.340 0.147 0.000 0.271 72 Q C 0.693 176.688 176.000 -0.008 0.000 1.067 72 Q CA -1.022 54.777 55.803 -0.006 0.000 0.839 72 Q CB 2.149 30.886 28.738 -0.002 0.000 1.354 72 Q HN 0.577 nan 8.270 nan 0.000 0.447 73 L N 2.375 123.594 121.223 -0.007 0.000 2.034 73 L HA -0.299 4.129 4.340 0.147 0.000 0.217 73 L C 1.925 178.784 176.870 -0.019 0.000 1.077 73 L CA 2.819 57.651 54.840 -0.014 0.000 0.769 73 L CB -0.872 41.182 42.059 -0.009 0.000 0.890 73 L HN 0.916 nan 8.230 nan 0.000 0.435 74 A N -1.122 121.696 122.820 -0.004 0.000 1.978 74 A HA -0.240 4.168 4.320 0.147 0.000 0.220 74 A C 1.924 179.511 177.584 0.005 0.000 1.170 74 A CA 1.793 53.833 52.037 0.005 0.000 0.636 74 A CB -0.827 18.185 19.000 0.019 0.000 0.810 74 A HN 0.591 nan 8.150 nan 0.000 0.448 75 D N -0.078 120.321 120.400 -0.002 0.000 2.190 75 D HA -0.147 4.581 4.640 0.147 0.000 0.200 75 D C 1.480 177.774 176.300 -0.009 0.000 0.992 75 D CA 0.981 54.978 54.000 -0.004 0.000 0.854 75 D CB -0.362 40.430 40.800 -0.014 0.000 0.936 75 D HN 0.348 nan 8.370 nan 0.000 0.462 76 L N 0.777 121.986 121.223 -0.022 0.000 2.450 76 L HA -0.099 4.329 4.340 0.147 0.000 0.224 76 L C 2.328 179.184 176.870 -0.024 0.000 1.149 76 L CA 0.708 55.530 54.840 -0.031 0.000 0.816 76 L CB -0.781 41.244 42.059 -0.057 0.000 0.932 76 L HN -0.078 nan 8.230 nan 0.000 0.449 77 S N -1.300 114.399 115.700 -0.003 0.000 2.380 77 S HA -0.258 4.301 4.470 0.147 0.000 0.229 77 S C 1.823 176.482 174.600 0.100 0.000 1.043 77 S CA 2.364 60.595 58.200 0.051 0.000 1.038 77 S CB -0.011 63.243 63.200 0.090 0.000 0.872 77 S HN 0.563 nan 8.310 nan 0.000 0.456 78 T N -0.587 114.018 114.554 0.084 0.000 3.046 78 T HA 0.240 4.678 4.350 0.147 0.000 0.270 78 T C -0.061 174.677 174.700 0.064 0.000 0.920 78 T CA -0.317 61.852 62.100 0.115 0.000 0.874 78 T CB 0.375 69.314 68.868 0.118 0.000 1.214 78 T HN 0.116 nan 8.240 nan 0.000 0.536 79 Q N 1.992 121.777 119.800 -0.025 0.000 2.571 79 Q HA 0.200 4.628 4.340 0.147 0.000 0.222 79 Q C 0.444 176.334 176.000 -0.183 0.000 1.167 79 Q CA -0.395 55.290 55.803 -0.197 0.000 0.966 79 Q CB 0.061 28.715 28.738 -0.140 0.000 1.274 79 Q HN 0.621 nan 8.270 nan 0.000 0.552 80 F N -0.405 119.523 119.950 -0.036 0.000 2.494 80 F HA -0.020 4.595 4.527 0.147 0.000 0.298 80 F C 0.824 176.676 175.800 0.086 0.000 1.106 80 F CA 0.485 58.473 58.000 -0.019 0.000 1.452 80 F CB -0.442 38.504 39.000 -0.089 0.000 1.085 80 F HN 0.313 nan 8.300 nan 0.000 0.569 81 F N 0.835 120.656 119.950 -0.215 0.000 2.727 81 F HA 0.338 4.953 4.527 0.147 0.000 0.302 81 F C 0.621 176.391 175.800 -0.050 0.000 1.097 81 F CA -0.513 57.451 58.000 -0.060 0.000 1.330 81 F CB 0.336 39.241 39.000 -0.158 0.000 1.084 81 F HN -0.112 nan 8.300 nan 0.000 0.578 82 L N 0.532 121.820 121.223 0.108 0.000 2.334 82 L HA 0.443 4.871 4.340 0.147 0.000 0.275 82 L C 0.318 177.225 176.870 0.063 0.000 1.036 82 L CA -0.532 54.342 54.840 0.056 0.000 0.807 82 L CB 1.809 43.871 42.059 0.006 0.000 1.231 82 L HN -0.047 nan 8.230 nan 0.000 0.438 83 T N -2.863 111.717 114.554 0.043 0.000 2.916 83 T HA 0.270 4.708 4.350 0.147 0.000 0.292 83 T C 0.555 175.265 174.700 0.016 0.000 1.064 83 T CA -0.751 61.371 62.100 0.037 0.000 1.011 83 T CB 1.971 70.866 68.868 0.044 0.000 1.152 83 T HN 0.625 nan 8.240 nan 0.000 0.510 84 E N 0.239 120.446 120.200 0.012 0.000 2.160 84 E HA -0.102 4.337 4.350 0.147 0.000 0.195 84 E C 1.749 178.354 176.600 0.008 0.000 0.991 84 E CA 1.149 57.552 56.400 0.005 0.000 0.810 84 E CB -0.056 29.648 29.700 0.006 0.000 0.742 84 E HN 0.614 nan 8.360 nan 0.000 0.466 85 K N 0.224 120.632 120.400 0.012 0.000 2.362 85 K HA -0.107 4.301 4.320 0.147 0.000 0.200 85 K C 0.708 177.312 176.600 0.006 0.000 1.046 85 K CA 1.057 57.350 56.287 0.010 0.000 0.952 85 K CB 0.221 32.728 32.500 0.013 0.000 0.753 85 K HN 0.122 nan 8.250 nan 0.000 0.466 86 D N 0.486 120.889 120.400 0.005 0.000 2.339 86 D HA 0.041 4.769 4.640 0.147 0.000 0.217 86 D C 0.293 176.591 176.300 -0.005 0.000 1.050 86 D CA 0.244 54.243 54.000 -0.001 0.000 0.856 86 D CB 0.158 40.958 40.800 -0.000 0.000 0.922 86 D HN 0.161 nan 8.370 nan 0.000 0.518 87 I N 0.618 121.186 120.570 -0.003 0.000 2.587 87 I HA 0.120 4.378 4.170 0.147 0.000 0.284 87 I C 1.656 177.769 176.117 -0.005 0.000 1.134 87 I CA 0.661 61.958 61.300 -0.005 0.000 1.410 87 I CB 0.571 38.569 38.000 -0.003 0.000 1.392 87 I HN 0.168 nan 8.210 nan 0.000 0.545 88 G N 4.308 113.103 108.800 -0.009 0.000 2.339 88 G HA2 -0.210 3.838 3.960 0.147 0.000 0.209 88 G HA3 -0.210 3.838 3.960 0.147 0.000 0.209 88 G C 0.258 175.150 174.900 -0.013 0.000 1.015 88 G CA -0.564 44.530 45.100 -0.009 0.000 0.635 88 G HN 0.518 nan 8.290 nan 0.000 0.499 89 Q N 1.547 121.338 119.800 -0.014 0.000 2.454 89 Q HA 0.515 4.943 4.340 0.147 0.000 0.247 89 Q C 0.455 176.437 176.000 -0.029 0.000 1.028 89 Q CA 0.177 55.968 55.803 -0.019 0.000 0.910 89 Q CB 0.487 29.215 28.738 -0.017 0.000 1.276 89 Q HN 0.417 nan 8.270 nan 0.000 0.489 90 K N 2.106 122.484 120.400 -0.037 0.000 2.448 90 K HA 0.005 4.413 4.320 0.147 0.000 0.278 90 K C 0.771 177.335 176.600 -0.061 0.000 1.009 90 K CA 0.068 56.321 56.287 -0.057 0.000 0.995 90 K CB 0.575 33.036 32.500 -0.065 0.000 0.917 90 K HN 0.517 nan 8.250 nan 0.000 0.481 91 R N 1.764 122.219 120.500 -0.076 0.000 2.091 91 R HA -0.159 4.270 4.340 0.147 0.000 0.238 91 R C 2.290 178.548 176.300 -0.070 0.000 1.136 91 R CA 1.653 57.712 56.100 -0.069 0.000 0.959 91 R CB -0.539 29.715 30.300 -0.077 0.000 0.856 91 R HN 0.920 nan 8.270 nan 0.000 0.437 92 G N 1.703 110.445 108.800 -0.096 0.000 2.514 92 G HA2 -0.310 3.738 3.960 0.147 0.000 0.217 92 G HA3 -0.310 3.738 3.960 0.147 0.000 0.217 92 G C 0.888 175.762 174.900 -0.044 0.000 1.198 92 G CA 1.268 46.323 45.100 -0.075 0.000 0.780 92 G HN 0.221 nan 8.290 nan 0.000 0.565 93 D N -0.070 120.304 120.400 -0.043 0.000 2.123 93 D HA -0.136 4.593 4.640 0.147 0.000 0.196 93 D C 2.818 179.099 176.300 -0.032 0.000 0.992 93 D CA 1.666 55.648 54.000 -0.029 0.000 0.833 93 D CB -0.482 40.303 40.800 -0.025 0.000 0.954 93 D HN 0.359 nan 8.370 nan 0.000 0.455 94 V N -1.541 118.352 119.914 -0.036 0.000 3.129 94 V HA 0.010 4.218 4.120 0.147 0.000 0.259 94 V C 1.759 177.821 176.094 -0.053 0.000 1.116 94 V CA 1.393 63.671 62.300 -0.037 0.000 1.127 94 V CB -0.179 31.628 31.823 -0.026 0.000 0.742 94 V HN -0.024 nan 8.190 nan 0.000 0.474 95 T N 1.652 116.177 114.554 -0.047 0.000 3.035 95 T HA 0.038 4.477 4.350 0.147 0.000 0.259 95 T C 1.841 176.492 174.700 -0.081 0.000 1.078 95 T CA 1.304 63.373 62.100 -0.052 0.000 1.132 95 T CB -0.096 68.770 68.868 -0.003 0.000 0.900 95 T HN 0.792 nan 8.240 nan 0.000 0.480 96 R N 2.019 122.488 120.500 -0.052 0.000 2.092 96 R HA 0.197 4.625 4.340 0.147 0.000 0.231 96 R C 2.414 178.675 176.300 -0.065 0.000 1.119 96 R CA 1.420 57.498 56.100 -0.036 0.000 0.970 96 R CB -0.647 29.649 30.300 -0.008 0.000 0.864 96 R HN 0.242 nan 8.270 nan 0.000 0.440 97 A N 1.400 124.167 122.820 -0.088 0.000 1.969 97 A HA -0.079 4.329 4.320 0.147 0.000 0.218 97 A C 1.861 179.345 177.584 -0.167 0.000 1.169 97 A CA 1.420 53.399 52.037 -0.097 0.000 0.635 97 A CB -0.276 18.675 19.000 -0.081 0.000 0.810 97 A HN 0.398 nan 8.150 nan 0.000 0.445 98 K N -0.575 119.642 120.400 -0.305 0.000 2.243 98 K HA 0.154 4.562 4.320 0.147 0.000 0.201 98 K C 1.718 177.987 176.600 -0.551 0.000 1.051 98 K CA 0.662 56.580 56.287 -0.615 0.000 0.970 98 K CB -0.208 31.590 32.500 -1.169 0.000 0.755 98 K HN 0.428 nan 8.250 nan 0.000 0.465 99 L N 0.644 121.714 121.223 -0.255 0.000 2.093 99 L HA -0.116 4.312 4.340 0.147 0.000 0.208 99 L C 2.522 179.412 176.870 0.034 0.000 1.085 99 L CA 0.874 55.730 54.840 0.027 0.000 0.755 99 L CB -0.459 41.652 42.059 0.087 0.000 0.904 99 L HN 0.156 nan 8.230 nan 0.000 0.435 100 A N -0.137 122.674 122.820 -0.014 0.000 1.972 100 A HA -0.202 4.206 4.320 0.147 0.000 0.219 100 A C 2.069 179.659 177.584 0.010 0.000 1.169 100 A CA 1.430 53.471 52.037 0.006 0.000 0.635 100 A CB -0.373 18.621 19.000 -0.009 0.000 0.810 100 A HN 0.464 nan 8.150 nan 0.000 0.446 101 E N -0.192 120.002 120.200 -0.009 0.000 2.418 101 E HA -0.024 4.414 4.350 0.147 0.000 0.197 101 E C 1.594 178.231 176.600 0.061 0.000 1.026 101 E CA 0.298 56.704 56.400 0.009 0.000 0.862 101 E CB -0.184 29.510 29.700 -0.010 0.000 0.799 101 E HN 0.633 nan 8.360 nan 0.000 0.518 102 L N 0.410 121.697 121.223 0.107 0.000 2.156 102 L HA -0.030 4.398 4.340 0.147 0.000 0.208 102 L C 0.915 177.858 176.870 0.120 0.000 1.095 102 L CA 0.555 55.491 54.840 0.160 0.000 0.770 102 L CB 0.051 42.244 42.059 0.224 0.000 0.914 102 L HN 0.081 nan 8.230 nan 0.000 0.439 103 N N -0.920 117.838 118.700 0.098 0.000 2.875 103 N HA 0.186 5.015 4.740 0.147 0.000 0.253 103 N C 0.164 175.712 175.510 0.063 0.000 1.296 103 N CA 0.207 53.316 53.050 0.097 0.000 0.816 103 N CB 1.338 39.929 38.487 0.174 0.000 1.504 103 N HN -0.002 nan 8.380 nan 0.000 0.582 104 A N 2.385 125.180 122.820 -0.042 0.000 2.186 104 A HA -0.100 4.308 4.320 0.147 0.000 0.219 104 A C 1.024 178.534 177.584 -0.122 0.000 1.159 104 A CA 1.085 53.054 52.037 -0.113 0.000 0.680 104 A CB -0.622 18.256 19.000 -0.203 0.000 0.787 104 A HN 0.738 nan 8.150 nan 0.000 0.467 105 Y N -0.954 119.381 120.300 0.058 0.000 2.395 105 Y HA 0.061 4.699 4.550 0.147 0.000 0.293 105 Y C 0.560 176.509 175.900 0.081 0.000 1.123 105 Y CA 0.322 58.470 58.100 0.080 0.000 1.227 105 Y CB 0.349 38.890 38.460 0.134 0.000 1.012 105 Y HN 0.047 nan 8.280 nan 0.000 0.552 106 V N 2.832 122.878 119.914 0.220 0.000 2.350 106 V HA 0.223 4.431 4.120 0.147 0.000 0.276 106 V C -2.322 173.836 176.094 0.108 0.000 1.028 106 V CA -2.366 60.029 62.300 0.158 0.000 0.860 106 V CB 0.704 32.618 31.823 0.152 0.000 0.990 106 V HN -0.064 nan 8.190 nan 0.000 0.453 107 P HA 0.224 nan 4.420 nan 0.000 0.271 107 P C -0.735 176.611 177.300 0.077 0.000 1.216 107 P CA -0.029 63.115 63.100 0.074 0.000 0.771 107 P CB 0.780 32.523 31.700 0.072 0.000 0.864 108 V N 4.417 124.369 119.914 0.064 0.000 2.378 108 V HA 0.348 4.556 4.120 0.147 0.000 0.288 108 V C -0.040 176.091 176.094 0.060 0.000 1.016 108 V CA -0.393 61.945 62.300 0.064 0.000 0.840 108 V CB 1.268 33.122 31.823 0.051 0.000 0.994 108 V HN 0.492 nan 8.190 nan 0.000 0.431 109 N N 2.341 121.088 118.700 0.078 0.000 2.362 109 N HA 0.741 5.569 4.740 0.147 0.000 0.299 109 N C -0.950 174.612 175.510 0.086 0.000 1.170 109 N CA -0.518 52.581 53.050 0.082 0.000 0.825 109 N CB 2.336 40.886 38.487 0.106 0.000 1.299 109 N HN 0.404 nan 8.380 nan 0.000 0.502 110 V N 1.462 121.424 119.914 0.081 0.000 2.547 110 V HA 0.454 4.662 4.120 0.147 0.000 0.299 110 V C -0.541 175.631 176.094 0.129 0.000 1.040 110 V CA -0.790 61.564 62.300 0.089 0.000 0.913 110 V CB 1.453 33.309 31.823 0.054 0.000 0.992 110 V HN 0.453 nan 8.190 nan 0.000 0.449 111 L N 2.676 124.011 121.223 0.187 0.000 2.287 111 L HA 0.534 4.962 4.340 0.147 0.000 0.287 111 L C 0.807 177.863 176.870 0.310 0.000 1.022 111 L CA 0.216 55.198 54.840 0.238 0.000 0.814 111 L CB 1.404 43.619 42.059 0.261 0.000 1.217 111 L HN 0.595 nan 8.230 nan 0.000 0.420 112 D N 1.177 121.708 120.400 0.217 0.000 2.213 112 D HA 0.020 4.748 4.640 0.147 0.000 0.205 112 D C 0.216 176.687 176.300 0.284 0.000 0.961 112 D CA 0.724 54.839 54.000 0.192 0.000 0.853 112 D CB 0.551 41.416 40.800 0.108 0.000 0.967 112 D HN 0.410 nan 8.370 nan 0.000 0.496 113 S N -0.299 115.555 115.700 0.257 0.000 2.541 113 S HA 0.533 5.091 4.470 0.147 0.000 0.280 113 S C -1.397 173.198 174.600 -0.007 0.000 1.112 113 S CA -0.692 57.625 58.200 0.195 0.000 0.925 113 S CB 1.323 64.578 63.200 0.091 0.000 1.067 113 S HN -0.020 nan 8.310 nan 0.000 0.479 114 L N 4.375 125.531 121.223 -0.110 0.000 2.625 114 L HA 0.522 4.950 4.340 0.147 0.000 0.255 114 L C -0.397 176.377 176.870 -0.160 0.000 1.493 114 L CA -0.088 54.550 54.840 -0.336 0.000 0.796 114 L CB 0.553 42.048 42.059 -0.940 0.000 1.064 114 L HN 0.825 nan 8.230 nan 0.000 0.516 115 D N -1.978 118.371 120.400 -0.086 0.000 2.379 115 D HA 0.042 4.770 4.640 0.147 0.000 0.218 115 D C 0.324 176.567 176.300 -0.096 0.000 1.006 115 D CA -0.079 53.882 54.000 -0.066 0.000 0.893 115 D CB 0.167 40.951 40.800 -0.027 0.000 1.019 115 D HN 0.241 nan 8.370 nan 0.000 0.503 116 D N 0.938 121.276 120.400 -0.103 0.000 2.416 116 D HA 0.013 4.741 4.640 0.147 0.000 0.240 116 D C 1.219 177.396 176.300 -0.205 0.000 1.250 116 D CA -0.154 53.767 54.000 -0.131 0.000 0.967 116 D CB 0.943 41.687 40.800 -0.093 0.000 1.059 116 D HN -0.147 nan 8.370 nan 0.000 0.512 117 V N 3.402 123.149 119.914 -0.278 0.000 2.636 117 V HA -0.273 3.935 4.120 0.147 0.000 0.258 117 V C 2.245 177.883 176.094 -0.759 0.000 1.092 117 V CA 2.037 64.059 62.300 -0.464 0.000 1.110 117 V CB -0.410 31.128 31.823 -0.476 0.000 0.685 117 V HN 0.620 nan 8.190 nan 0.000 0.481 118 T N -0.774 113.452 114.554 -0.546 0.000 2.881 118 T HA -0.203 4.235 4.350 0.147 0.000 0.270 118 T C 1.743 176.369 174.700 -0.123 0.000 1.068 118 T CA 1.374 63.255 62.100 -0.364 0.000 1.131 118 T CB -0.168 68.617 68.868 -0.139 0.000 0.871 118 T HN 0.659 nan 8.240 nan 0.000 0.479 119 Q N 0.413 120.149 119.800 -0.108 0.000 2.226 119 Q HA 0.020 4.449 4.340 0.147 0.000 0.204 119 Q C 2.178 178.233 176.000 0.091 0.000 0.975 119 Q CA 0.885 56.682 55.803 -0.011 0.000 0.866 119 Q CB -0.347 28.391 28.738 0.000 0.000 0.915 119 Q HN 0.487 nan 8.270 nan 0.000 0.440 120 L N 0.915 122.214 121.223 0.126 0.000 2.261 120 L HA -0.174 4.254 4.340 0.147 0.000 0.216 120 L C 2.506 179.615 176.870 0.398 0.000 1.114 120 L CA 1.215 56.276 54.840 0.370 0.000 0.777 120 L CB -0.743 41.517 42.059 0.335 0.000 0.910 120 L HN 0.325 nan 8.230 nan 0.000 0.440 121 S N -0.060 115.837 115.700 0.328 0.000 2.469 121 S HA -0.232 4.326 4.470 0.147 0.000 0.238 121 S C 1.771 176.398 174.600 0.044 0.000 0.998 121 S CA 1.015 59.365 58.200 0.249 0.000 0.957 121 S CB -0.364 62.989 63.200 0.254 0.000 0.764 121 S HN 0.697 nan 8.310 nan 0.000 0.514 122 Q N -0.323 119.400 119.800 -0.127 0.000 2.451 122 Q HA 0.203 4.631 4.340 0.147 0.000 0.206 122 Q C -0.328 175.405 176.000 -0.445 0.000 0.947 122 Q CA 0.052 55.655 55.803 -0.333 0.000 0.937 122 Q CB -0.282 28.175 28.738 -0.469 0.000 1.025 122 Q HN 0.609 nan 8.270 nan 0.000 0.511 123 F N 0.853 120.836 119.950 0.056 0.000 2.440 123 F HA 0.295 4.910 4.527 0.147 0.000 0.328 123 F C 1.120 176.943 175.800 0.039 0.000 1.070 123 F CA -0.999 57.028 58.000 0.045 0.000 1.011 123 F CB 1.482 40.513 39.000 0.051 0.000 1.226 123 F HN -0.202 nan 8.300 nan 0.000 0.491 124 Q N 0.193 120.134 119.800 0.235 0.000 2.324 124 Q HA 0.222 4.650 4.340 0.147 0.000 0.207 124 Q C -0.570 175.499 176.000 0.115 0.000 0.928 124 Q CA 0.642 56.523 55.803 0.129 0.000 0.890 124 Q CB 0.588 29.376 28.738 0.084 0.000 1.001 124 Q HN 0.378 nan 8.270 nan 0.000 0.517 125 V N 0.407 120.391 119.914 0.117 0.000 2.656 125 V HA 0.552 4.760 4.120 0.147 0.000 0.307 125 V C -0.870 175.229 176.094 0.008 0.000 1.051 125 V CA -0.932 61.391 62.300 0.039 0.000 0.893 125 V CB 2.236 34.055 31.823 -0.006 0.000 0.999 125 V HN -0.203 nan 8.190 nan 0.000 0.426 126 V N 4.516 124.417 119.914 -0.022 0.000 2.531 126 V HA 0.538 4.746 4.120 0.147 0.000 0.301 126 V C -0.574 175.389 176.094 -0.218 0.000 1.034 126 V CA -0.581 61.675 62.300 -0.073 0.000 0.865 126 V CB 2.161 34.041 31.823 0.094 0.000 0.995 126 V HN 0.621 nan 8.190 nan 0.000 0.424 127 V N 3.852 123.634 119.914 -0.219 0.000 2.378 127 V HA 0.780 4.989 4.120 0.147 0.000 0.288 127 V C 0.308 176.279 176.094 -0.204 0.000 1.016 127 V CA -0.556 61.581 62.300 -0.272 0.000 0.840 127 V CB 1.625 33.341 31.823 -0.178 0.000 0.994 127 V HN 0.969 nan 8.190 nan 0.000 0.431 128 A N 3.641 126.295 122.820 -0.276 0.000 2.271 128 A HA 0.796 5.204 4.320 0.147 0.000 0.317 128 A C 0.101 177.655 177.584 -0.050 0.000 1.245 128 A CA -0.275 51.713 52.037 -0.082 0.000 0.857 128 A CB 1.170 20.205 19.000 0.058 0.000 1.175 128 A HN 0.684 nan 8.150 nan 0.000 0.512 129 T N 0.097 114.656 114.554 0.008 0.000 2.889 129 T HA 0.251 4.690 4.350 0.147 0.000 0.278 129 T C 1.204 175.936 174.700 0.053 0.000 0.995 129 T CA 0.235 62.343 62.100 0.013 0.000 0.966 129 T CB 0.757 69.632 68.868 0.010 0.000 1.237 129 T HN 0.785 nan 8.240 nan 0.000 0.591 130 D N -0.124 120.308 120.400 0.054 0.000 2.411 130 D HA -0.088 4.640 4.640 0.147 0.000 0.226 130 D C 1.101 177.460 176.300 0.098 0.000 0.988 130 D CA 0.787 54.840 54.000 0.088 0.000 0.938 130 D CB -0.060 40.786 40.800 0.077 0.000 0.883 130 D HN 0.285 nan 8.370 nan 0.000 0.525 131 T N 0.009 114.614 114.554 0.085 0.000 3.081 131 T HA 0.118 4.556 4.350 0.147 0.000 0.250 131 T C 0.479 175.246 174.700 0.111 0.000 1.100 131 T CA -0.046 62.103 62.100 0.082 0.000 1.038 131 T CB 0.453 69.356 68.868 0.058 0.000 0.962 131 T HN -0.000 nan 8.240 nan 0.000 0.516 132 V N 2.735 122.726 119.914 0.129 0.000 2.448 132 V HA 0.433 4.641 4.120 0.147 0.000 0.295 132 V C 0.304 176.487 176.094 0.148 0.000 1.025 132 V CA -1.314 61.069 62.300 0.138 0.000 0.859 132 V CB 1.617 33.523 31.823 0.138 0.000 0.988 132 V HN 0.421 nan 8.190 nan 0.000 0.431 133 S N 4.344 120.129 115.700 0.142 0.000 2.576 133 S HA 0.175 4.734 4.470 0.147 0.000 0.272 133 S C 0.975 175.604 174.600 0.049 0.000 1.352 133 S CA -0.331 57.967 58.200 0.163 0.000 1.021 133 S CB 0.777 64.061 63.200 0.141 0.000 0.887 133 S HN 0.633 nan 8.310 nan 0.000 0.542 134 L N 1.292 122.453 121.223 -0.103 0.000 2.131 134 L HA -0.046 4.382 4.340 0.147 0.000 0.210 134 L C 2.570 179.385 176.870 -0.091 0.000 1.092 134 L CA 2.345 57.037 54.840 -0.247 0.000 0.759 134 L CB -1.170 40.567 42.059 -0.536 0.000 0.903 134 L HN 1.038 nan 8.230 nan 0.000 0.435 135 E N -0.729 119.455 120.200 -0.026 0.000 2.038 135 E HA -0.278 4.160 4.350 0.147 0.000 0.195 135 E C 1.681 178.275 176.600 -0.009 0.000 1.000 135 E CA 1.901 58.295 56.400 -0.010 0.000 0.803 135 E CB -0.164 29.546 29.700 0.017 0.000 0.750 135 E HN 0.498 nan 8.360 nan 0.000 0.448 136 D N 0.001 120.410 120.400 0.015 0.000 2.178 136 D HA -0.088 4.640 4.640 0.147 0.000 0.202 136 D C 1.757 178.071 176.300 0.023 0.000 0.974 136 D CA 0.929 54.944 54.000 0.024 0.000 0.841 136 D CB -0.023 40.809 40.800 0.055 0.000 0.953 136 D HN 0.212 nan 8.370 nan 0.000 0.478 137 K N 0.138 120.557 120.400 0.031 0.000 2.057 137 K HA -0.057 4.351 4.320 0.147 0.000 0.206 137 K C 2.102 178.642 176.600 -0.099 0.000 1.050 137 K CA 0.571 56.894 56.287 0.061 0.000 0.935 137 K CB -0.039 32.528 32.500 0.112 0.000 0.715 137 K HN -0.012 nan 8.250 nan 0.000 0.439 138 V N 1.998 121.848 119.914 -0.107 0.000 2.343 138 V HA -0.274 3.934 4.120 0.147 0.000 0.247 138 V C 2.008 178.022 176.094 -0.133 0.000 1.051 138 V CA 1.757 63.970 62.300 -0.145 0.000 1.036 138 V CB -0.388 31.375 31.823 -0.101 0.000 0.654 138 V HN 0.304 nan 8.190 nan 0.000 0.451 139 K N -0.200 120.153 120.400 -0.079 0.000 2.025 139 K HA -0.068 4.340 4.320 0.147 0.000 0.207 139 K C 2.080 178.655 176.600 -0.042 0.000 1.049 139 K CA 1.538 57.797 56.287 -0.047 0.000 0.933 139 K CB -0.293 32.190 32.500 -0.028 0.000 0.714 139 K HN 0.361 nan 8.250 nan 0.000 0.438 140 I N 1.931 122.466 120.570 -0.058 0.000 2.179 140 I HA -0.303 3.955 4.170 0.147 0.000 0.242 140 I C 2.523 178.549 176.117 -0.152 0.000 1.088 140 I CA 1.040 62.328 61.300 -0.020 0.000 1.357 140 I CB -0.380 37.669 38.000 0.081 0.000 1.051 140 I HN 0.324 nan 8.210 nan 0.000 0.409 141 N N 0.895 119.263 118.700 -0.552 0.000 2.166 141 N HA -0.260 4.568 4.740 0.147 0.000 0.186 141 N C 1.870 177.220 175.510 -0.267 0.000 1.019 141 N CA 1.484 54.023 53.050 -0.851 0.000 0.856 141 N CB 0.061 37.848 38.487 -1.167 0.000 0.993 141 N HN 0.244 nan 8.380 nan 0.000 0.426 142 E N 0.384 120.497 120.200 -0.145 0.000 2.077 142 E HA -0.152 4.286 4.350 0.147 0.000 0.193 142 E C 1.734 178.368 176.600 0.056 0.000 0.989 142 E CA 0.964 57.345 56.400 -0.032 0.000 0.800 142 E CB -0.624 29.063 29.700 -0.021 0.000 0.746 142 E HN 0.454 nan 8.360 nan 0.000 0.452 143 F N -0.064 119.858 119.950 -0.046 0.000 2.113 143 F HA -0.167 4.448 4.527 0.147 0.000 0.297 143 F C 2.201 178.012 175.800 0.018 0.000 1.103 143 F CA 1.486 59.481 58.000 -0.007 0.000 1.248 143 F CB -0.600 38.395 39.000 -0.008 0.000 0.999 143 F HN 0.117 nan 8.300 nan 0.000 0.475 144 C N -0.059 119.279 119.300 0.062 0.000 2.413 144 C HA -0.236 4.312 4.460 0.147 0.000 0.278 144 C C 2.677 177.635 174.990 -0.054 0.000 1.224 144 C CA 1.769 60.793 59.018 0.010 0.000 1.732 144 C CB -1.752 26.084 27.740 0.160 0.000 2.050 144 C HN 0.673 nan 8.230 nan 0.000 0.463 145 H N 1.785 120.806 119.070 -0.082 0.000 2.290 145 H HA -0.162 4.482 4.556 0.147 0.000 0.298 145 H C 2.355 177.636 175.328 -0.078 0.000 1.087 145 H CA 2.563 58.578 56.048 -0.055 0.000 1.291 145 H CB -0.087 29.656 29.762 -0.032 0.000 1.369 145 H HN 0.558 nan 8.280 nan 0.000 0.492 146 S N -1.434 114.300 115.700 0.057 0.000 2.474 146 S HA -0.071 4.487 4.470 0.147 0.000 0.235 146 S C 2.016 176.515 174.600 -0.168 0.000 0.997 146 S CA 1.077 59.261 58.200 -0.027 0.000 0.949 146 S CB -0.015 63.174 63.200 -0.018 0.000 0.766 146 S HN 0.297 nan 8.310 nan 0.000 0.517 147 S N 0.031 115.558 115.700 -0.289 0.000 2.535 147 S HA 0.464 5.022 4.470 0.147 0.000 0.214 147 S C 1.472 175.944 174.600 -0.213 0.000 0.980 147 S CA 0.363 58.348 58.200 -0.358 0.000 0.907 147 S CB 0.148 62.917 63.200 -0.719 0.000 0.790 147 S HN 0.989 nan 8.310 nan 0.000 0.510 148 G N 1.571 110.265 108.800 -0.176 0.000 2.179 148 G HA2 -0.242 3.806 3.960 0.147 0.000 0.260 148 G HA3 -0.242 3.806 3.960 0.147 0.000 0.260 148 G C 0.087 174.943 174.900 -0.073 0.000 0.977 148 G CA 0.027 45.053 45.100 -0.123 0.000 0.641 148 G HN 0.497 nan 8.290 nan 0.000 0.533 149 I N 1.056 121.590 120.570 -0.060 0.000 2.496 149 I HA 0.387 4.645 4.170 0.147 0.000 0.285 149 I C 1.036 177.177 176.117 0.040 0.000 1.080 149 I CA -0.755 60.559 61.300 0.023 0.000 1.404 149 I CB 0.720 38.774 38.000 0.089 0.000 1.403 149 I HN -0.025 nan 8.210 nan 0.000 0.539 150 R N 5.181 125.701 120.500 0.034 0.000 2.442 150 R HA 0.338 4.766 4.340 0.147 0.000 0.291 150 R C -0.932 175.400 176.300 0.052 0.000 1.069 150 R CA 0.155 56.245 56.100 -0.017 0.000 1.022 150 R CB 0.277 30.535 30.300 -0.070 0.000 0.976 150 R HN 0.439 nan 8.270 nan 0.000 0.443 151 F N 3.809 123.682 119.950 -0.129 0.000 2.529 151 F HA 0.615 5.230 4.527 0.147 0.000 0.320 151 F C -1.026 174.701 175.800 -0.121 0.000 1.118 151 F CA -0.910 57.053 58.000 -0.061 0.000 0.915 151 F CB 1.013 40.035 39.000 0.037 0.000 1.161 151 F HN 0.335 nan 8.300 nan 0.000 0.445 152 I N 4.020 124.110 120.570 -0.800 0.000 2.686 152 I HA 0.429 4.687 4.170 0.147 0.000 0.295 152 I C -0.876 174.777 176.117 -0.773 0.000 1.114 152 I CA -0.675 60.262 61.300 -0.605 0.000 1.038 152 I CB 2.348 40.130 38.000 -0.363 0.000 1.238 152 I HN 0.532 nan 8.210 nan 0.000 0.420 153 S N 2.992 118.474 115.700 -0.362 0.000 2.526 153 S HA 0.801 5.359 4.470 0.147 0.000 0.293 153 S C -1.180 173.367 174.600 -0.088 0.000 1.092 153 S CA -0.329 57.757 58.200 -0.189 0.000 0.980 153 S CB 1.719 64.985 63.200 0.110 0.000 1.048 153 S HN 0.621 nan 8.310 nan 0.000 0.483 154 S N 1.732 117.383 115.700 -0.082 0.000 2.556 154 S HA 0.727 5.285 4.470 0.147 0.000 0.271 154 S C -2.038 172.505 174.600 -0.095 0.000 1.135 154 S CA -0.640 57.495 58.200 -0.110 0.000 0.858 154 S CB 1.325 64.473 63.200 -0.086 0.000 1.114 154 S HN 0.880 nan 8.310 nan 0.000 0.468 155 E N 0.456 120.545 120.200 -0.185 0.000 2.407 155 E HA 0.630 5.068 4.350 0.147 0.000 0.279 155 E C -1.643 174.885 176.600 -0.120 0.000 1.012 155 E CA -0.941 55.422 56.400 -0.061 0.000 0.800 155 E CB 1.674 31.440 29.700 0.110 0.000 1.276 155 E HN 0.353 nan 8.360 nan 0.000 0.452 156 T N 1.270 115.848 114.554 0.040 0.000 2.881 156 T HA 0.514 4.952 4.350 0.147 0.000 0.290 156 T C -1.190 173.625 174.700 0.192 0.000 1.000 156 T CA -0.929 61.235 62.100 0.106 0.000 0.978 156 T CB 0.910 69.843 68.868 0.107 0.000 0.997 156 T HN 0.365 nan 8.240 nan 0.000 0.443 157 R N 2.787 123.444 120.500 0.261 0.000 2.625 157 R HA 0.534 4.962 4.340 0.147 0.000 0.286 157 R C 0.688 177.128 176.300 0.235 0.000 1.406 157 R CA -0.560 55.645 56.100 0.176 0.000 1.052 157 R CB 1.096 31.424 30.300 0.048 0.000 1.203 157 R HN 0.989 nan 8.270 nan 0.000 0.502 158 G N 1.998 110.900 108.800 0.171 0.000 2.611 158 G HA2 -0.363 3.685 3.960 0.147 0.000 0.301 158 G HA3 -0.363 3.685 3.960 0.147 0.000 0.301 158 G C 0.511 175.498 174.900 0.145 0.000 1.233 158 G CA 0.151 45.333 45.100 0.136 0.000 0.993 158 G HN 0.511 nan 8.290 nan 0.000 0.553 159 L N 0.580 121.793 121.223 -0.016 0.000 2.693 159 L HA 0.397 4.825 4.340 0.147 0.000 0.242 159 L C 0.162 176.848 176.870 -0.306 0.000 1.157 159 L CA 0.047 54.780 54.840 -0.179 0.000 0.929 159 L CB -0.536 41.288 42.059 -0.391 0.000 1.103 159 L HN 0.222 nan 8.230 nan 0.000 0.430 160 F N -0.877 119.177 119.950 0.173 0.000 2.561 160 F HA 0.760 5.375 4.527 0.147 0.000 0.321 160 F C 0.673 176.712 175.800 0.399 0.000 1.065 160 F CA -0.804 57.363 58.000 0.278 0.000 0.934 160 F CB 2.066 41.187 39.000 0.202 0.000 1.215 160 F HN -0.200 nan 8.300 nan 0.000 0.471 161 G N 1.383 110.576 108.800 0.656 0.000 2.632 161 G HA2 0.493 4.541 3.960 0.147 0.000 0.292 161 G HA3 0.493 4.541 3.960 0.147 0.000 0.292 161 G C -2.343 172.418 174.900 -0.232 0.000 1.465 161 G CA -1.011 44.123 45.100 0.056 0.000 0.824 161 G HN 0.831 nan 8.290 nan 0.000 0.509 162 N N -1.359 116.861 118.700 -0.801 0.000 2.571 162 N HA 0.791 5.619 4.740 0.147 0.000 0.273 162 N C -0.963 174.254 175.510 -0.488 0.000 1.340 162 N CA -0.607 52.053 53.050 -0.649 0.000 0.789 162 N CB 2.597 40.445 38.487 -1.066 0.000 1.514 162 N HN 0.607 nan 8.380 nan 0.000 0.499 163 T N -0.470 114.025 114.554 -0.099 0.000 2.909 163 T HA 0.609 5.048 4.350 0.147 0.000 0.299 163 T C -2.114 172.592 174.700 0.009 0.000 1.073 163 T CA -0.648 61.448 62.100 -0.006 0.000 0.999 163 T CB 0.439 69.387 68.868 0.134 0.000 1.098 163 T HN 0.462 nan 8.240 nan 0.000 0.477 164 F N 4.333 124.151 119.950 -0.220 0.000 2.556 164 F HA 0.779 5.395 4.527 0.147 0.000 0.314 164 F C -1.673 173.971 175.800 -0.260 0.000 1.106 164 F CA -0.632 57.123 58.000 -0.409 0.000 0.911 164 F CB 1.738 40.389 39.000 -0.580 0.000 1.190 164 F HN 0.429 nan 8.300 nan 0.000 0.448 165 V N 4.357 123.504 119.914 -1.277 0.000 2.588 165 V HA 0.427 4.635 4.120 0.147 0.000 0.304 165 V C -1.549 173.902 176.094 -1.071 0.000 1.042 165 V CA -0.576 61.182 62.300 -0.904 0.000 0.877 165 V CB 1.790 33.336 31.823 -0.462 0.000 0.996 165 V HN 0.695 nan 8.190 nan 0.000 0.425 166 D N 3.822 123.827 120.400 -0.657 0.000 2.336 166 D HA 0.356 5.084 4.640 0.147 0.000 0.248 166 D C 0.097 176.118 176.300 -0.465 0.000 1.326 166 D CA -0.316 53.473 54.000 -0.352 0.000 0.973 166 D CB 1.285 42.189 40.800 0.174 0.000 1.255 166 D HN 0.381 nan 8.370 nan 0.000 0.558 167 L N 2.446 122.977 121.223 -1.154 0.000 2.628 167 L HA 0.527 4.955 4.340 0.147 0.000 0.229 167 L C 1.230 177.860 176.870 -0.401 0.000 1.137 167 L CA 0.193 54.474 54.840 -0.932 0.000 0.909 167 L CB -0.443 40.671 42.059 -1.575 0.000 1.137 167 L HN 0.623 nan 8.230 nan 0.000 0.470 168 G N 0.389 109.051 108.800 -0.230 0.000 2.525 168 G HA2 -0.235 3.813 3.960 0.147 0.000 0.685 168 G HA3 -0.235 3.813 3.960 0.147 0.000 0.685 168 G C -0.206 174.716 174.900 0.037 0.000 1.290 168 G CA -0.169 44.805 45.100 -0.210 0.000 0.915 168 G HN 0.096 nan 8.290 nan 0.000 0.548 169 D N 0.253 120.592 120.400 -0.101 0.000 2.224 169 D HA 0.102 4.830 4.640 0.147 0.000 0.205 169 D C 0.850 177.227 176.300 0.128 0.000 0.965 169 D CA 1.589 55.638 54.000 0.082 0.000 0.852 169 D CB 0.185 41.007 40.800 0.036 0.000 0.947 169 D HN 0.527 nan 8.370 nan 0.000 0.494 170 E N -0.373 119.896 120.200 0.116 0.000 2.255 170 E HA 0.301 4.739 4.350 0.147 0.000 0.256 170 E C -1.313 175.410 176.600 0.204 0.000 0.887 170 E CA -0.565 55.910 56.400 0.125 0.000 0.782 170 E CB 1.819 31.545 29.700 0.042 0.000 1.214 170 E HN 0.003 nan 8.360 nan 0.000 0.417 171 F N 1.427 121.446 119.950 0.115 0.000 2.569 171 F HA 0.387 5.003 4.527 0.147 0.000 0.312 171 F C -0.862 174.993 175.800 0.091 0.000 1.109 171 F CA -0.391 57.672 58.000 0.105 0.000 0.919 171 F CB 2.009 41.122 39.000 0.188 0.000 1.211 171 F HN 0.128 nan 8.300 nan 0.000 0.446 172 T N 5.401 119.633 114.554 -0.536 0.000 2.758 172 T HA 0.454 4.892 4.350 0.147 0.000 0.285 172 T C -0.695 173.839 174.700 -0.276 0.000 0.981 172 T CA -0.531 61.397 62.100 -0.288 0.000 0.965 172 T CB 1.204 69.929 68.868 -0.238 0.000 0.927 172 T HN 0.338 nan 8.240 nan 0.000 0.448 173 V N 5.217 125.159 119.914 0.047 0.000 2.432 173 V HA 0.138 4.346 4.120 0.147 0.000 0.271 173 V C 0.693 176.791 176.094 0.007 0.000 1.046 173 V CA -0.473 61.891 62.300 0.108 0.000 0.945 173 V CB 1.021 32.956 31.823 0.187 0.000 0.992 173 V HN 0.710 nan 8.190 nan 0.000 0.471 174 L N 2.757 123.961 121.223 -0.032 0.000 2.416 174 L HA 0.345 4.773 4.340 0.147 0.000 0.216 174 L C 0.549 177.400 176.870 -0.031 0.000 1.098 174 L CA 1.099 55.907 54.840 -0.054 0.000 0.840 174 L CB -0.514 41.491 42.059 -0.090 0.000 0.981 174 L HN 0.816 nan 8.230 nan 0.000 0.462 175 D N -1.275 119.117 120.400 -0.013 0.000 2.452 175 D HA 0.184 4.912 4.640 0.147 0.000 0.226 175 D C -2.198 174.143 176.300 0.069 0.000 1.366 175 D CA -1.109 52.895 54.000 0.005 0.000 0.986 175 D CB 1.963 42.732 40.800 -0.052 0.000 1.420 175 D HN -0.179 nan 8.370 nan 0.000 0.583 176 P HA 0.042 nan 4.420 nan 0.000 0.227 176 P C 0.326 177.752 177.300 0.209 0.000 1.161 176 P CA 0.656 63.845 63.100 0.148 0.000 0.788 176 P CB 0.299 32.064 31.700 0.108 0.000 0.822 177 T N -5.542 109.138 114.554 0.210 0.000 2.901 177 T HA 0.602 5.040 4.350 0.147 0.000 0.293 177 T C 1.164 176.057 174.700 0.322 0.000 1.084 177 T CA -0.375 61.854 62.100 0.214 0.000 1.008 177 T CB 1.343 70.272 68.868 0.102 0.000 1.170 177 T HN -0.086 nan 8.240 nan 0.000 0.509 178 G N 0.093 109.092 108.800 0.332 0.000 2.848 178 G HA2 0.126 4.174 3.960 0.147 0.000 0.208 178 G HA3 0.126 4.174 3.960 0.147 0.000 0.208 178 G C 0.345 175.354 174.900 0.181 0.000 1.152 178 G CA -0.067 45.274 45.100 0.401 0.000 0.789 178 G HN 0.677 nan 8.290 nan 0.000 0.531 179 E N 1.265 121.537 120.200 0.121 0.000 2.373 179 E HA 0.126 4.564 4.350 0.147 0.000 0.267 179 E C 0.143 176.778 176.600 0.059 0.000 1.032 179 E CA -0.105 56.341 56.400 0.076 0.000 0.889 179 E CB 0.916 30.647 29.700 0.053 0.000 0.984 179 E HN 0.404 nan 8.360 nan 0.000 0.425 180 E N 3.076 123.307 120.200 0.051 0.000 2.415 180 E HA 0.059 4.497 4.350 0.147 0.000 0.263 180 E C -2.038 174.578 176.600 0.027 0.000 0.995 180 E CA -1.328 55.093 56.400 0.035 0.000 0.915 180 E CB 0.058 29.782 29.700 0.040 0.000 0.951 180 E HN 0.096 nan 8.360 nan 0.000 0.449 181 P HA -0.019 nan 4.420 nan 0.000 0.264 181 P C -0.663 176.641 177.300 0.007 0.000 1.183 181 P CA 0.211 63.321 63.100 0.017 0.000 0.763 181 P CB 0.500 32.205 31.700 0.007 0.000 0.807 182 R N 1.128 121.649 120.500 0.034 0.000 2.694 182 R HA 0.551 4.979 4.340 0.147 0.000 0.268 182 R C 0.700 176.948 176.300 -0.087 0.000 1.061 182 R CA 0.330 56.453 56.100 0.038 0.000 1.133 182 R CB 0.202 30.592 30.300 0.150 0.000 1.020 182 R HN 0.396 nan 8.270 nan 0.000 0.475 183 T N -0.319 114.061 114.554 -0.290 0.000 2.868 183 T HA 0.770 5.208 4.350 0.147 0.000 0.306 183 T C -1.174 172.996 174.700 -0.883 0.000 1.224 183 T CA -0.271 61.404 62.100 -0.707 0.000 1.012 183 T CB 1.584 70.246 68.868 -0.344 0.000 1.221 183 T HN 0.710 nan 8.240 nan 0.000 0.499 184 G N 2.221 110.283 108.800 -1.231 0.000 2.632 184 G HA2 0.539 4.587 3.960 0.147 0.000 0.292 184 G HA3 0.539 4.587 3.960 0.147 0.000 0.292 184 G C -1.485 173.369 174.900 -0.077 0.000 1.465 184 G CA -0.830 44.007 45.100 -0.438 0.000 0.824 184 G HN 0.775 nan 8.290 nan 0.000 0.509 185 M N 0.897 120.559 119.600 0.104 0.000 2.277 185 M HA 0.443 5.011 4.480 0.147 0.000 0.350 185 M C -0.084 176.352 176.300 0.227 0.000 1.180 185 M CA -0.713 54.677 55.300 0.150 0.000 1.103 185 M CB 1.877 34.538 32.600 0.101 0.000 1.577 185 M HN 0.174 nan 8.290 nan 0.000 0.459 186 V N 1.784 121.833 119.914 0.225 0.000 2.439 186 V HA 0.158 4.366 4.120 0.147 0.000 0.282 186 V C 0.546 176.705 176.094 0.108 0.000 1.039 186 V CA 0.108 62.519 62.300 0.186 0.000 0.913 186 V CB 1.635 33.594 31.823 0.226 0.000 0.983 186 V HN 1.063 nan 8.190 nan 0.000 0.460 187 S N 2.426 118.132 115.700 0.010 0.000 2.468 187 S HA 0.111 4.669 4.470 0.147 0.000 0.226 187 S C 0.263 174.762 174.600 -0.168 0.000 1.051 187 S CA 0.454 58.638 58.200 -0.026 0.000 0.943 187 S CB 0.094 63.271 63.200 -0.039 0.000 0.810 187 S HN 0.897 nan 8.310 nan 0.000 0.509 188 D N -0.310 119.837 120.400 -0.422 0.000 2.836 188 D HA 0.352 5.080 4.640 0.147 0.000 0.215 188 D C -1.666 174.115 176.300 -0.864 0.000 1.255 188 D CA -0.305 53.191 54.000 -0.840 0.000 0.822 188 D CB 1.393 41.937 40.800 -0.425 0.000 1.656 188 D HN 0.220 nan 8.370 nan 0.000 0.511 189 I N 2.583 122.438 120.570 -1.192 0.000 2.382 189 I HA 0.278 4.536 4.170 0.147 0.000 0.286 189 I C 0.557 176.444 176.117 -0.384 0.000 1.002 189 I CA -0.663 60.267 61.300 -0.617 0.000 1.135 189 I CB 1.683 39.392 38.000 -0.485 0.000 1.288 189 I HN 0.139 nan 8.210 nan 0.000 0.448 190 E N 6.758 126.789 120.200 -0.283 0.000 2.345 190 E HA 0.181 4.619 4.350 0.147 0.000 0.259 190 E C -1.618 174.913 176.600 -0.115 0.000 1.117 190 E CA -1.524 54.775 56.400 -0.168 0.000 0.913 190 E CB 0.802 30.417 29.700 -0.142 0.000 1.057 190 E HN 0.318 nan 8.360 nan 0.000 0.432 191 P HA -0.243 nan 4.420 nan 0.000 0.217 191 P C 0.727 178.007 177.300 -0.033 0.000 1.158 191 P CA 1.656 64.737 63.100 -0.032 0.000 0.887 191 P CB 0.017 31.706 31.700 -0.018 0.000 0.792 192 D N -1.696 118.678 120.400 -0.044 0.000 2.378 192 D HA -0.004 4.724 4.640 0.147 0.000 0.222 192 D C 1.292 177.560 176.300 -0.053 0.000 0.980 192 D CA 1.093 55.072 54.000 -0.035 0.000 0.907 192 D CB -1.058 39.721 40.800 -0.034 0.000 0.899 192 D HN 0.301 nan 8.370 nan 0.000 0.527 193 G N -0.715 108.026 108.800 -0.098 0.000 2.131 193 G HA2 -0.235 3.813 3.960 0.147 0.000 0.223 193 G HA3 -0.235 3.813 3.960 0.147 0.000 0.223 193 G C 0.274 175.057 174.900 -0.195 0.000 0.990 193 G CA 0.255 45.268 45.100 -0.146 0.000 0.671 193 G HN 0.664 nan 8.290 nan 0.000 0.521 194 T N 0.835 115.273 114.554 -0.193 0.000 2.737 194 T HA 0.509 4.947 4.350 0.147 0.000 0.296 194 T C 0.571 175.063 174.700 -0.347 0.000 0.922 194 T CA 0.025 61.983 62.100 -0.237 0.000 1.079 194 T CB 0.695 69.468 68.868 -0.159 0.000 0.892 194 T HN 0.654 nan 8.240 nan 0.000 0.514 195 V N 6.473 126.070 119.914 -0.529 0.000 2.465 195 V HA 0.419 4.628 4.120 0.147 0.000 0.279 195 V C 0.655 176.448 176.094 -0.502 0.000 1.045 195 V CA -0.648 61.264 62.300 -0.647 0.000 0.938 195 V CB 1.528 32.668 31.823 -1.140 0.000 0.986 195 V HN 0.998 nan 8.190 nan 0.000 0.467 196 T N 5.772 120.130 114.554 -0.327 0.000 2.797 196 T HA 0.530 4.968 4.350 0.147 0.000 0.279 196 T C -0.086 174.581 174.700 -0.055 0.000 0.991 196 T CA -0.690 61.314 62.100 -0.159 0.000 0.979 196 T CB 1.338 70.123 68.868 -0.137 0.000 0.943 196 T HN 0.364 nan 8.240 nan 0.000 0.444 197 M N 2.431 122.078 119.600 0.079 0.000 2.241 197 M HA 0.278 4.846 4.480 0.147 0.000 0.335 197 M C 0.137 176.494 176.300 0.095 0.000 1.122 197 M CA -1.100 54.304 55.300 0.174 0.000 1.164 197 M CB 0.120 32.908 32.600 0.312 0.000 1.459 197 M HN 0.528 nan 8.290 nan 0.000 0.461 198 L N 3.671 124.954 121.223 0.100 0.000 2.584 198 L HA -0.025 4.403 4.340 0.147 0.000 0.272 198 L C 0.583 177.461 176.870 0.012 0.000 1.195 198 L CA 1.047 55.913 54.840 0.044 0.000 0.920 198 L CB -0.595 41.496 42.059 0.053 0.000 1.173 198 L HN 0.761 nan 8.230 nan 0.000 0.489 199 D N 2.004 122.380 120.400 -0.041 0.000 4.057 199 D HA -0.373 4.355 4.640 0.147 0.000 0.389 199 D C 0.929 177.146 176.300 -0.139 0.000 0.607 199 D CA 2.361 56.305 54.000 -0.095 0.000 0.951 199 D CB -0.358 40.389 40.800 -0.088 0.000 0.346 199 D HN 0.836 nan 8.370 nan 0.000 0.281 200 D N -0.090 120.247 120.400 -0.105 0.000 2.354 200 D HA 0.008 4.737 4.640 0.147 0.000 0.209 200 D C -0.441 175.917 176.300 0.097 0.000 1.015 200 D CA -0.038 53.884 54.000 -0.129 0.000 0.867 200 D CB -0.149 40.600 40.800 -0.085 0.000 0.933 200 D HN 0.200 nan 8.370 nan 0.000 0.520 201 N N 1.370 120.151 118.700 0.136 0.000 2.411 201 N HA -0.013 4.815 4.740 0.147 0.000 0.261 201 N C 0.065 175.764 175.510 0.316 0.000 1.248 201 N CA 0.350 53.519 53.050 0.199 0.000 0.885 201 N CB 0.444 39.031 38.487 0.167 0.000 1.062 201 N HN 0.169 nan 8.380 nan 0.000 0.471 202 R N 1.457 122.091 120.500 0.224 0.000 2.357 202 R HA 0.099 4.527 4.340 0.147 0.000 0.296 202 R C 1.621 177.972 176.300 0.086 0.000 1.052 202 R CA -0.549 55.588 56.100 0.061 0.000 0.988 202 R CB 0.713 30.952 30.300 -0.101 0.000 1.025 202 R HN 0.709 nan 8.270 nan 0.000 0.469 203 H N 1.691 120.867 119.070 0.177 0.000 2.470 203 H HA 0.035 4.679 4.556 0.147 0.000 0.289 203 H C 1.027 176.450 175.328 0.159 0.000 1.033 203 H CA 0.815 57.027 56.048 0.272 0.000 1.331 203 H CB 0.340 30.188 29.762 0.144 0.000 1.414 203 H HN 0.917 nan 8.280 nan 0.000 0.545 204 G N 1.341 110.051 108.800 -0.150 0.000 2.189 204 G HA2 -0.301 3.747 3.960 0.147 0.000 0.267 204 G HA3 -0.301 3.747 3.960 0.147 0.000 0.267 204 G C 0.245 175.176 174.900 0.051 0.000 0.975 204 G CA 0.539 45.608 45.100 -0.053 0.000 0.644 204 G HN 0.371 nan 8.290 nan 0.000 0.537 205 L N -0.240 121.144 121.223 0.268 0.000 2.475 205 L HA 0.708 5.136 4.340 0.147 0.000 0.253 205 L C 0.718 177.599 176.870 0.019 0.000 1.198 205 L CA -0.441 54.437 54.840 0.064 0.000 0.814 205 L CB 0.790 42.706 42.059 -0.237 0.000 1.134 205 L HN 0.266 nan 8.230 nan 0.000 0.478 206 E N -0.459 119.696 120.200 -0.074 0.000 2.288 206 E HA 0.224 4.662 4.350 0.147 0.000 0.268 206 E C -1.461 175.066 176.600 -0.123 0.000 0.885 206 E CA -0.917 55.439 56.400 -0.073 0.000 0.767 206 E CB 1.610 31.273 29.700 -0.063 0.000 1.220 206 E HN 0.501 nan 8.360 nan 0.000 0.427 207 D N 1.268 121.608 120.400 -0.100 0.000 2.533 207 D HA 0.205 4.933 4.640 0.147 0.000 0.236 207 D C 0.917 177.122 176.300 -0.157 0.000 1.137 207 D CA 2.272 56.200 54.000 -0.120 0.000 0.867 207 D CB 0.535 41.288 40.800 -0.079 0.000 1.170 207 D HN 0.738 nan 8.370 nan 0.000 0.474 208 G N 2.174 110.831 108.800 -0.239 0.000 2.195 208 G HA2 -0.315 3.733 3.960 0.147 0.000 0.246 208 G HA3 -0.315 3.733 3.960 0.147 0.000 0.246 208 G C 0.293 174.906 174.900 -0.477 0.000 0.984 208 G CA -0.243 44.654 45.100 -0.338 0.000 0.633 208 G HN 0.615 nan 8.290 nan 0.000 0.525 209 N N -0.253 118.241 118.700 -0.344 0.000 2.395 209 N HA 0.427 5.255 4.740 0.147 0.000 0.246 209 N C -0.426 174.813 175.510 -0.451 0.000 1.246 209 N CA 0.402 53.278 53.050 -0.289 0.000 0.879 209 N CB 0.207 38.564 38.487 -0.217 0.000 1.098 209 N HN 0.188 nan 8.380 nan 0.000 0.444 210 F N 0.684 120.597 119.950 -0.061 0.000 2.492 210 F HA 0.579 5.194 4.527 0.146 0.000 0.327 210 F C 0.256 176.027 175.800 -0.048 0.000 1.079 210 F CA -0.760 57.218 58.000 -0.037 0.000 0.967 210 F CB 1.526 40.515 39.000 -0.019 0.000 1.169 210 F HN 0.045 nan 8.300 nan 0.000 0.472 211 V N 3.500 123.530 119.914 0.193 0.000 2.888 211 V HA 0.591 4.799 4.120 0.147 0.000 0.309 211 V C -0.951 175.196 176.094 0.089 0.000 1.114 211 V CA -0.720 61.604 62.300 0.039 0.000 0.940 211 V CB 2.320 34.027 31.823 -0.192 0.000 1.021 211 V HN 0.842 nan 8.190 nan 0.000 0.426 212 R N 3.703 124.203 120.500 0.001 0.000 2.856 212 R HA 0.808 5.236 4.340 0.147 0.000 0.258 212 R C -1.638 174.572 176.300 -0.149 0.000 1.066 212 R CA -0.580 55.567 56.100 0.077 0.000 1.045 212 R CB 1.591 31.957 30.300 0.111 0.000 1.178 212 R HN 0.380 nan 8.270 nan 0.000 0.499 213 F N -0.563 119.521 119.950 0.224 0.000 2.563 213 F HA 0.538 5.152 4.527 0.146 0.000 0.316 213 F C -0.212 175.658 175.800 0.116 0.000 1.076 213 F CA -0.654 57.443 58.000 0.161 0.000 0.921 213 F CB 3.015 42.065 39.000 0.084 0.000 1.209 213 F HN 0.506 nan 8.300 nan 0.000 0.462 214 S N 0.367 116.253 115.700 0.309 0.000 2.570 214 S HA 0.396 4.954 4.470 0.147 0.000 0.286 214 S C -0.452 174.246 174.600 0.163 0.000 1.099 214 S CA -0.804 57.508 58.200 0.186 0.000 0.913 214 S CB 1.679 64.955 63.200 0.126 0.000 1.085 214 S HN 0.749 nan 8.310 nan 0.000 0.480 215 E N -0.635 119.623 120.200 0.098 0.000 3.170 215 E HA -0.161 4.277 4.350 0.147 0.000 0.284 215 E C -0.617 176.005 176.600 0.036 0.000 0.967 215 E CA 0.431 56.863 56.400 0.053 0.000 0.919 215 E CB -1.451 28.282 29.700 0.055 0.000 1.469 215 E HN 0.326 nan 8.360 nan 0.000 0.444 216 V N 1.322 121.263 119.914 0.045 0.000 2.370 216 V HA -0.000 4.208 4.120 0.147 0.000 0.257 216 V C 1.546 177.578 176.094 -0.103 0.000 1.064 216 V CA 0.664 62.953 62.300 -0.019 0.000 0.975 216 V CB 0.977 32.777 31.823 -0.038 0.000 1.067 216 V HN 0.204 nan 8.190 nan 0.000 0.485 217 E N 3.885 123.974 120.200 -0.184 0.000 2.107 217 E HA -0.094 4.344 4.350 0.147 0.000 0.191 217 E C 2.185 178.677 176.600 -0.179 0.000 0.982 217 E CA 1.088 57.386 56.400 -0.170 0.000 0.809 217 E CB 0.015 29.608 29.700 -0.180 0.000 0.756 217 E HN 0.897 nan 8.360 nan 0.000 0.459 218 G N 0.148 108.779 108.800 -0.281 0.000 2.484 218 G HA2 -0.099 3.949 3.960 0.147 0.000 0.218 218 G HA3 -0.099 3.949 3.960 0.147 0.000 0.218 218 G C 0.818 175.675 174.900 -0.072 0.000 1.130 218 G CA 0.280 45.270 45.100 -0.184 0.000 0.784 218 G HN 0.081 nan 8.290 nan 0.000 0.543 219 L N 1.407 122.593 121.223 -0.062 0.000 2.839 219 L HA 0.252 4.680 4.340 0.147 0.000 0.259 219 L C 1.111 178.004 176.870 0.039 0.000 1.369 219 L CA -0.240 54.602 54.840 0.002 0.000 0.845 219 L CB 1.163 43.176 42.059 -0.075 0.000 1.181 219 L HN 0.180 nan 8.230 nan 0.000 0.529 220 D N 0.641 121.075 120.400 0.057 0.000 2.126 220 D HA -0.300 4.428 4.640 0.147 0.000 0.190 220 D C 1.643 178.016 176.300 0.121 0.000 1.001 220 D CA 1.704 55.740 54.000 0.061 0.000 0.841 220 D CB 0.245 41.070 40.800 0.043 0.000 0.949 220 D HN 0.245 nan 8.370 nan 0.000 0.446 221 K N -0.979 119.557 120.400 0.226 0.000 2.515 221 K HA 0.020 4.429 4.320 0.147 0.000 0.196 221 K C 1.730 178.548 176.600 0.364 0.000 1.038 221 K CA 0.079 56.555 56.287 0.314 0.000 0.967 221 K CB -0.142 32.558 32.500 0.333 0.000 0.780 221 K HN 0.187 nan 8.250 nan 0.000 0.483 222 L N 1.130 122.413 121.223 0.100 0.000 2.362 222 L HA -0.122 4.306 4.340 0.147 0.000 0.219 222 L C 1.166 178.124 176.870 0.146 0.000 1.134 222 L CA 1.282 56.018 54.840 -0.173 0.000 0.807 222 L CB -0.079 41.639 42.059 -0.569 0.000 0.927 222 L HN 0.215 nan 8.230 nan 0.000 0.447 223 N N -1.261 117.529 118.700 0.150 0.000 2.392 223 N HA -0.123 4.706 4.740 0.147 0.000 0.177 223 N C 1.171 176.789 175.510 0.180 0.000 1.066 223 N CA 0.491 53.650 53.050 0.183 0.000 0.895 223 N CB -0.080 38.478 38.487 0.120 0.000 0.988 223 N HN 0.308 nan 8.380 nan 0.000 0.457 224 D N 1.215 121.723 120.400 0.180 0.000 6.363 224 D HA -0.274 4.454 4.640 0.147 0.000 0.195 224 D C 1.239 177.616 176.300 0.128 0.000 1.789 224 D CA 2.380 56.475 54.000 0.160 0.000 0.833 224 D CB -0.059 40.865 40.800 0.205 0.000 0.798 224 D HN 0.525 nan 8.370 nan 0.000 0.763 225 G N -1.782 107.111 108.800 0.154 0.000 2.176 225 G HA2 -0.260 3.788 3.960 0.147 0.000 0.232 225 G HA3 -0.260 3.788 3.960 0.147 0.000 0.232 225 G C 0.476 175.423 174.900 0.079 0.000 0.986 225 G CA 0.705 45.869 45.100 0.107 0.000 0.643 225 G HN 0.466 nan 8.290 nan 0.000 0.522 226 T N 1.802 116.411 114.554 0.091 0.000 2.937 226 T HA 0.451 4.889 4.350 0.147 0.000 0.316 226 T C 0.770 175.405 174.700 -0.109 0.000 1.079 226 T CA 0.324 62.397 62.100 -0.046 0.000 1.131 226 T CB 0.978 69.804 68.868 -0.071 0.000 1.000 226 T HN 0.375 nan 8.240 nan 0.000 0.549 227 L N 2.693 123.762 121.223 -0.257 0.000 2.322 227 L HA 0.611 5.039 4.340 0.147 0.000 0.279 227 L C -0.777 175.921 176.870 -0.286 0.000 1.036 227 L CA -0.769 53.992 54.840 -0.133 0.000 0.807 227 L CB 0.868 42.863 42.059 -0.107 0.000 1.226 227 L HN 0.553 nan 8.230 nan 0.000 0.433 228 F N 1.264 121.389 119.950 0.292 0.000 2.518 228 F HA 0.412 5.027 4.527 0.146 0.000 0.323 228 F C 0.269 176.215 175.800 0.244 0.000 1.129 228 F CA -0.802 57.372 58.000 0.290 0.000 0.920 228 F CB 1.733 40.910 39.000 0.297 0.000 1.160 228 F HN 0.323 nan 8.300 nan 0.000 0.440 229 K N 2.072 122.649 120.400 0.295 0.000 2.326 229 K HA 0.501 4.909 4.320 0.147 0.000 0.275 229 K C -0.951 175.594 176.600 -0.093 0.000 1.018 229 K CA -0.254 55.919 56.287 -0.189 0.000 0.962 229 K CB 0.998 33.382 32.500 -0.193 0.000 0.953 229 K HN 0.490 nan 8.250 nan 0.000 0.475 230 V N 3.877 123.642 119.914 -0.249 0.000 2.435 230 V HA 0.177 4.385 4.120 0.147 0.000 0.290 230 V C -0.253 175.761 176.094 -0.134 0.000 1.030 230 V CA -0.534 61.663 62.300 -0.171 0.000 0.881 230 V CB 1.439 33.020 31.823 -0.402 0.000 0.983 230 V HN 0.785 nan 8.190 nan 0.000 0.445 231 E N 4.038 124.218 120.200 -0.032 0.000 2.114 231 E HA 0.409 4.847 4.350 0.147 0.000 0.266 231 E C -1.349 175.250 176.600 -0.002 0.000 0.896 231 E CA -0.522 55.863 56.400 -0.026 0.000 0.750 231 E CB 1.847 31.546 29.700 -0.002 0.000 1.121 231 E HN 0.480 nan 8.360 nan 0.000 0.413 232 V N 7.045 126.944 119.914 -0.024 0.000 2.427 232 V HA 0.048 4.256 4.120 0.147 0.000 0.268 232 V C 1.267 177.385 176.094 0.040 0.000 1.046 232 V CA 0.169 62.476 62.300 0.011 0.000 0.970 232 V CB 0.840 32.684 31.823 0.035 0.000 1.001 232 V HN 0.818 nan 8.190 nan 0.000 0.476 233 L N 4.116 125.376 121.223 0.061 0.000 2.121 233 L HA 0.392 4.820 4.340 0.147 0.000 0.200 233 L C 1.270 178.175 176.870 0.058 0.000 1.077 233 L CA 1.267 56.134 54.840 0.045 0.000 0.766 233 L CB -0.170 41.904 42.059 0.024 0.000 0.931 233 L HN 0.764 nan 8.230 nan 0.000 0.452 234 G N -2.584 106.278 108.800 0.104 0.000 2.766 234 G HA2 0.368 4.416 3.960 0.147 0.000 0.288 234 G HA3 0.368 4.416 3.960 0.147 0.000 0.288 234 G C -2.376 172.517 174.900 -0.012 0.000 1.408 234 G CA -0.649 44.480 45.100 0.049 0.000 0.852 234 G HN -0.279 nan 8.290 nan 0.000 0.487 235 P HA -0.122 nan 4.420 nan 0.000 0.219 235 P C 0.582 177.373 177.300 -0.849 0.000 1.151 235 P CA 1.570 64.201 63.100 -0.781 0.000 0.850 235 P CB -0.019 30.908 31.700 -1.288 0.000 0.784 236 F N -2.739 117.250 119.950 0.066 0.000 2.698 236 F HA 0.562 5.177 4.527 0.147 0.000 0.304 236 F C 0.761 176.692 175.800 0.217 0.000 1.108 236 F CA -0.484 57.596 58.000 0.133 0.000 1.263 236 F CB 0.405 39.438 39.000 0.054 0.000 1.013 236 F HN -0.190 nan 8.300 nan 0.000 0.532 237 A N 0.932 123.986 122.820 0.391 0.000 2.547 237 A HA 0.768 5.176 4.320 0.147 0.000 0.297 237 A C -1.340 176.294 177.584 0.084 0.000 1.056 237 A CA -0.636 51.492 52.037 0.152 0.000 0.688 237 A CB 1.278 20.315 19.000 0.062 0.000 1.282 237 A HN 0.231 nan 8.150 nan 0.000 0.400 238 F N -0.401 119.415 119.950 -0.223 0.000 2.692 238 F HA 0.918 5.532 4.527 0.146 0.000 0.320 238 F C -0.556 175.134 175.800 -0.184 0.000 1.123 238 F CA -1.039 56.791 58.000 -0.284 0.000 0.961 238 F CB 1.427 40.108 39.000 -0.533 0.000 1.383 238 F HN 0.701 nan 8.300 nan 0.000 0.483 239 R N 1.385 121.910 120.500 0.041 0.000 2.686 239 R HA 0.671 5.099 4.340 0.147 0.000 0.283 239 R C -0.743 175.609 176.300 0.087 0.000 0.978 239 R CA -0.733 55.346 56.100 -0.035 0.000 0.897 239 R CB 2.159 32.439 30.300 -0.034 0.000 1.192 239 R HN 0.996 nan 8.270 nan 0.000 0.457 240 I N 0.010 120.607 120.570 0.045 0.000 3.817 240 I HA 0.497 4.755 4.170 0.147 0.000 0.325 240 I C 0.270 176.470 176.117 0.139 0.000 1.550 240 I CA -0.178 61.205 61.300 0.139 0.000 1.100 240 I CB 0.993 39.074 38.000 0.135 0.000 1.216 240 I HN 0.793 nan 8.210 nan 0.000 0.481 241 G N 1.710 110.557 108.800 0.079 0.000 2.758 241 G HA2 -0.205 3.843 3.960 0.147 0.000 0.686 241 G HA3 -0.205 3.843 3.960 0.147 0.000 0.686 241 G C -0.258 174.683 174.900 0.068 0.000 1.389 241 G CA -0.161 44.992 45.100 0.089 0.000 0.845 241 G HN 0.644 nan 8.290 nan 0.000 0.572 242 S N -1.572 114.170 115.700 0.070 0.000 2.553 242 S HA 0.223 4.781 4.470 0.147 0.000 0.293 242 S C 1.209 175.876 174.600 0.112 0.000 1.296 242 S CA 0.778 59.017 58.200 0.064 0.000 1.046 242 S CB 0.961 64.198 63.200 0.063 0.000 0.810 242 S HN 1.773 nan 8.310 nan 0.000 0.505 243 V N 5.176 125.144 119.914 0.089 0.000 3.382 243 V HA 0.213 4.421 4.120 0.147 0.000 0.296 243 V C 1.945 178.147 176.094 0.180 0.000 1.529 243 V CA 0.066 62.460 62.300 0.156 0.000 1.048 243 V CB 0.003 31.800 31.823 -0.042 0.000 0.878 243 V HN 0.970 nan 8.190 nan 0.000 0.442 244 K N 0.728 121.185 120.400 0.095 0.000 2.113 244 K HA -0.213 4.195 4.320 0.147 0.000 0.208 244 K C 1.597 178.228 176.600 0.051 0.000 1.047 244 K CA 1.545 57.867 56.287 0.059 0.000 0.928 244 K CB 0.170 32.689 32.500 0.032 0.000 0.716 244 K HN 0.350 nan 8.250 nan 0.000 0.446 245 E N -0.522 119.696 120.200 0.030 0.000 2.502 245 E HA -0.090 4.349 4.350 0.147 0.000 0.194 245 E C 1.058 177.585 176.600 -0.121 0.000 1.062 245 E CA 0.514 56.879 56.400 -0.059 0.000 0.867 245 E CB 0.102 29.734 29.700 -0.113 0.000 0.888 245 E HN 0.458 nan 8.360 nan 0.000 0.510 246 Y N -0.224 120.086 120.300 0.016 0.000 2.503 246 Y HA 0.161 4.799 4.550 0.147 0.000 0.278 246 Y C 1.585 177.483 175.900 -0.005 0.000 1.111 246 Y CA 0.629 58.737 58.100 0.013 0.000 1.270 246 Y CB 0.855 39.317 38.460 0.005 0.000 1.063 246 Y HN 0.088 nan 8.280 nan 0.000 0.548 247 G N -0.003 108.874 108.800 0.128 0.000 2.260 247 G HA2 -0.084 3.964 3.960 0.147 0.000 0.250 247 G HA3 -0.084 3.964 3.960 0.147 0.000 0.250 247 G C -1.474 173.456 174.900 0.049 0.000 1.340 247 G CA -0.707 44.432 45.100 0.065 0.000 1.056 247 G HN -0.014 nan 8.290 nan 0.000 0.471 248 E N -0.259 119.957 120.200 0.027 0.000 2.165 248 E HA 0.508 4.946 4.350 0.147 0.000 0.266 248 E C -1.097 175.518 176.600 0.025 0.000 0.889 248 E CA -0.814 55.604 56.400 0.029 0.000 0.756 248 E CB 1.483 31.191 29.700 0.013 0.000 1.131 248 E HN 0.614 nan 8.360 nan 0.000 0.411 249 Y N 4.876 125.139 120.300 -0.062 0.000 2.712 249 Y HA -0.085 4.553 4.550 0.147 0.000 0.333 249 Y C 0.469 176.336 175.900 -0.055 0.000 1.225 249 Y CA 1.260 59.313 58.100 -0.078 0.000 1.499 249 Y CB 0.761 39.159 38.460 -0.104 0.000 1.288 249 Y HN 0.603 nan 8.280 nan 0.000 0.575 250 K N 4.076 123.993 120.400 -0.804 0.000 2.448 250 K HA 0.231 4.640 4.320 0.147 0.000 0.220 250 K C -0.628 175.600 176.600 -0.620 0.000 1.259 250 K CA 0.124 56.116 56.287 -0.492 0.000 0.810 250 K CB 0.572 32.892 32.500 -0.299 0.000 1.540 250 K HN 0.649 nan 8.250 nan 0.000 0.434 251 K N -1.020 118.891 120.400 -0.816 0.000 2.614 251 K HA 0.516 4.924 4.320 0.147 0.000 0.293 251 K C -0.296 176.150 176.600 -0.257 0.000 1.045 251 K CA -0.613 55.443 56.287 -0.386 0.000 0.880 251 K CB 1.183 33.609 32.500 -0.123 0.000 1.552 251 K HN 0.193 nan 8.250 nan 0.000 0.404 252 G N -0.945 107.863 108.800 0.013 0.000 2.752 252 G HA2 0.249 4.297 3.960 0.147 0.000 0.234 252 G HA3 0.249 4.297 3.960 0.147 0.000 0.234 252 G C 0.262 175.261 174.900 0.163 0.000 1.367 252 G CA 0.070 45.207 45.100 0.063 0.000 0.879 252 G HN 2.078 nan 8.290 nan 0.000 0.563 253 G N -1.960 106.930 108.800 0.150 0.000 3.101 253 G HA2 0.473 4.521 3.960 0.147 0.000 0.672 253 G HA3 0.473 4.521 3.960 0.147 0.000 0.672 253 G C -0.870 174.168 174.900 0.231 0.000 1.331 253 G CA -0.042 45.190 45.100 0.220 0.000 0.925 253 G HN 1.488 nan 8.290 nan 0.000 0.596 254 I N 2.343 123.055 120.570 0.237 0.000 2.465 254 I HA 0.621 4.879 4.170 0.147 0.000 0.291 254 I C 0.312 176.571 176.117 0.237 0.000 1.014 254 I CA -1.139 60.263 61.300 0.170 0.000 1.093 254 I CB 1.784 39.823 38.000 0.065 0.000 1.267 254 I HN 0.597 nan 8.210 nan 0.000 0.431 255 F N 3.844 123.863 119.950 0.114 0.000 2.397 255 F HA 0.804 5.420 4.527 0.148 0.000 0.331 255 F C -0.489 175.255 175.800 -0.094 0.000 1.090 255 F CA -0.381 57.551 58.000 -0.115 0.000 1.065 255 F CB 1.292 40.213 39.000 -0.130 0.000 1.184 255 F HN 0.261 nan 8.300 nan 0.000 0.499 256 T N 3.232 117.766 114.554 -0.034 0.000 2.881 256 T HA 0.194 4.632 4.350 0.147 0.000 0.291 256 T C -0.867 173.877 174.700 0.073 0.000 0.990 256 T CA -0.681 61.381 62.100 -0.062 0.000 0.976 256 T CB 1.357 70.191 68.868 -0.057 0.000 0.970 256 T HN 0.836 nan 8.240 nan 0.000 0.438 257 E N 2.344 122.611 120.200 0.111 0.000 2.398 257 E HA 0.343 4.782 4.350 0.147 0.000 0.263 257 E C -1.038 175.598 176.600 0.061 0.000 1.046 257 E CA -0.265 56.192 56.400 0.095 0.000 0.908 257 E CB 0.606 30.362 29.700 0.093 0.000 0.963 257 E HN 0.319 nan 8.360 nan 0.000 0.431 258 V N 4.333 124.296 119.914 0.081 0.000 2.577 258 V HA 0.191 4.399 4.120 0.147 0.000 0.303 258 V C -0.675 175.469 176.094 0.085 0.000 1.042 258 V CA -0.992 61.345 62.300 0.062 0.000 0.872 258 V CB 1.744 33.592 31.823 0.042 0.000 0.998 258 V HN 0.640 nan 8.190 nan 0.000 0.423 259 K N 3.396 123.827 120.400 0.052 0.000 2.379 259 K HA 0.395 4.804 4.320 0.147 0.000 0.284 259 K C -0.261 176.350 176.600 0.018 0.000 1.044 259 K CA 0.057 56.376 56.287 0.054 0.000 0.974 259 K CB 0.968 33.488 32.500 0.032 0.000 0.962 259 K HN 0.646 nan 8.250 nan 0.000 0.474 260 V N 1.331 121.260 119.914 0.024 0.000 2.713 260 V HA 0.666 4.874 4.120 0.147 0.000 0.307 260 V C -2.107 173.968 176.094 -0.031 0.000 1.052 260 V CA -2.300 59.965 62.300 -0.060 0.000 0.967 260 V CB 1.149 32.862 31.823 -0.184 0.000 1.019 260 V HN 0.669 nan 8.190 nan 0.000 0.459 261 P HA 0.355 nan 4.420 nan 0.000 0.271 261 P C -0.968 176.324 177.300 -0.015 0.000 1.218 261 P CA -0.302 62.773 63.100 -0.040 0.000 0.780 261 P CB 0.860 32.521 31.700 -0.065 0.000 0.901 262 R N 1.683 122.190 120.500 0.011 0.000 2.480 262 R HA 0.302 4.730 4.340 0.147 0.000 0.306 262 R C -0.306 176.019 176.300 0.042 0.000 0.958 262 R CA -0.796 55.325 56.100 0.035 0.000 0.861 262 R CB 1.262 31.599 30.300 0.062 0.000 1.171 262 R HN 0.329 nan 8.270 nan 0.000 0.445 263 K N 6.956 127.377 120.400 0.034 0.000 2.183 263 K HA 0.326 4.734 4.320 0.147 0.000 0.274 263 K C -0.708 175.932 176.600 0.067 0.000 1.009 263 K CA -0.382 55.936 56.287 0.051 0.000 0.888 263 K CB 0.682 33.197 32.500 0.025 0.000 1.078 263 K HN 0.699 nan 8.250 nan 0.000 0.459 264 I N -0.082 120.557 120.570 0.116 0.000 2.892 264 I HA 0.508 4.766 4.170 0.147 0.000 0.306 264 I C -0.617 175.548 176.117 0.081 0.000 1.078 264 I CA -0.880 60.446 61.300 0.044 0.000 1.032 264 I CB 2.325 40.300 38.000 -0.041 0.000 1.229 264 I HN 0.479 nan 8.210 nan 0.000 0.435 265 S N 2.505 118.181 115.700 -0.040 0.000 2.500 265 S HA 0.740 5.299 4.470 0.147 0.000 0.301 265 S C -0.992 173.554 174.600 -0.090 0.000 1.092 265 S CA -0.606 57.637 58.200 0.070 0.000 1.030 265 S CB 1.296 64.552 63.200 0.093 0.000 1.031 265 S HN 0.453 nan 8.310 nan 0.000 0.483 266 F N 1.353 121.351 119.950 0.080 0.000 2.432 266 F HA 0.552 5.167 4.527 0.147 0.000 0.329 266 F C 0.948 176.860 175.800 0.186 0.000 1.076 266 F CA -0.921 57.127 58.000 0.080 0.000 1.018 266 F CB 1.248 40.257 39.000 0.015 0.000 1.201 266 F HN 0.400 nan 8.300 nan 0.000 0.489 267 K N 0.577 121.148 120.400 0.286 0.000 2.123 267 K HA 0.496 4.904 4.320 0.147 0.000 0.248 267 K C -0.054 176.635 176.600 0.148 0.000 0.969 267 K CA -0.691 55.694 56.287 0.162 0.000 0.882 267 K CB 1.771 34.330 32.500 0.097 0.000 1.080 267 K HN 0.772 nan 8.250 nan 0.000 0.441 268 S N 0.497 116.126 115.700 -0.119 0.000 2.608 268 S HA 0.026 4.584 4.470 0.147 0.000 0.261 268 S C 1.222 175.846 174.600 0.039 0.000 1.314 268 S CA -0.576 57.547 58.200 -0.129 0.000 0.992 268 S CB 0.511 63.495 63.200 -0.360 0.000 0.935 268 S HN 0.580 nan 8.310 nan 0.000 0.564 269 L N 1.192 122.371 121.223 -0.073 0.000 2.042 269 L HA -0.020 4.408 4.340 0.147 0.000 0.210 269 L C 2.533 179.286 176.870 -0.195 0.000 1.076 269 L CA 1.948 56.547 54.840 -0.403 0.000 0.749 269 L CB -1.070 40.673 42.059 -0.527 0.000 0.893 269 L HN 0.944 nan 8.230 nan 0.000 0.432 270 K N -0.976 119.343 120.400 -0.135 0.000 2.009 270 K HA -0.237 4.171 4.320 0.147 0.000 0.210 270 K C 2.091 178.674 176.600 -0.028 0.000 1.049 270 K CA 2.110 58.351 56.287 -0.077 0.000 0.929 270 K CB -0.135 32.319 32.500 -0.076 0.000 0.714 270 K HN 0.514 nan 8.250 nan 0.000 0.440 271 Q N -0.216 119.568 119.800 -0.027 0.000 2.124 271 Q HA -0.230 4.198 4.340 0.147 0.000 0.202 271 Q C 2.106 178.143 176.000 0.061 0.000 0.977 271 Q CA 1.506 57.315 55.803 0.008 0.000 0.850 271 Q CB -0.020 28.715 28.738 -0.004 0.000 0.901 271 Q HN 0.272 nan 8.270 nan 0.000 0.429 272 Q N 0.555 120.417 119.800 0.102 0.000 2.245 272 Q HA 0.002 4.430 4.340 0.147 0.000 0.201 272 Q C 1.778 177.974 176.000 0.327 0.000 0.955 272 Q CA 0.607 56.547 55.803 0.230 0.000 0.870 272 Q CB 0.118 29.067 28.738 0.352 0.000 0.945 272 Q HN 0.347 nan 8.270 nan 0.000 0.461 273 L N -0.685 120.681 121.223 0.238 0.000 2.046 273 L HA -0.189 4.239 4.340 0.147 0.000 0.208 273 L C 2.317 179.325 176.870 0.230 0.000 1.077 273 L CA 1.313 56.295 54.840 0.237 0.000 0.747 273 L CB -0.459 41.642 42.059 0.070 0.000 0.896 273 L HN 0.190 nan 8.230 nan 0.000 0.432 274 S N -0.572 115.199 115.700 0.119 0.000 2.368 274 S HA -0.111 4.447 4.470 0.147 0.000 0.224 274 S C 1.006 175.641 174.600 0.059 0.000 1.029 274 S CA 1.126 59.374 58.200 0.080 0.000 0.988 274 S CB -0.105 63.122 63.200 0.044 0.000 0.838 274 S HN 0.348 nan 8.310 nan 0.000 0.462 275 N N -0.100 118.622 118.700 0.036 0.000 2.725 275 N HA 0.314 5.142 4.740 0.147 0.000 0.248 275 N C -2.571 172.891 175.510 -0.080 0.000 1.402 275 N CA -1.690 51.346 53.050 -0.023 0.000 0.766 275 N CB 1.119 39.607 38.487 0.002 0.000 1.223 275 N HN -0.097 nan 8.380 nan 0.000 0.515 276 P HA -0.118 nan 4.420 nan 0.000 0.210 276 P C -0.936 176.183 177.300 -0.301 0.000 1.185 276 P CA 1.002 63.859 63.100 -0.405 0.000 0.924 276 P CB 0.051 30.982 31.700 -1.281 0.000 0.786 277 E N -2.378 117.534 120.200 -0.481 0.000 6.822 277 E HA -0.154 4.285 4.350 0.147 0.000 0.220 277 E C -1.423 175.007 176.600 -0.283 0.000 1.203 277 E CA -0.236 55.998 56.400 -0.276 0.000 1.484 277 E CB -1.428 28.223 29.700 -0.082 0.000 0.945 277 E HN 0.038 nan 8.360 nan 0.000 0.289 278 F N 3.276 123.203 119.950 -0.038 0.000 2.458 278 F HA 0.588 5.203 4.527 0.147 0.000 0.330 278 F C 0.541 176.178 175.800 -0.272 0.000 1.082 278 F CA -1.039 56.847 58.000 -0.189 0.000 0.995 278 F CB 1.687 40.361 39.000 -0.544 0.000 1.170 278 F HN 0.097 nan 8.300 nan 0.000 0.478 279 V N 3.437 123.373 119.914 0.036 0.000 2.435 279 V HA 0.314 4.522 4.120 0.147 0.000 0.290 279 V C -0.439 175.608 176.094 -0.079 0.000 1.030 279 V CA -0.952 61.359 62.300 0.018 0.000 0.881 279 V CB 1.253 33.179 31.823 0.172 0.000 0.983 279 V HN 0.470 nan 8.190 nan 0.000 0.445 280 F N 2.411 122.435 119.950 0.124 0.000 2.396 280 F HA 0.286 4.901 4.527 0.147 0.000 0.343 280 F C 1.668 177.432 175.800 -0.060 0.000 1.104 280 F CA 0.092 58.060 58.000 -0.053 0.000 1.161 280 F CB 1.860 40.648 39.000 -0.354 0.000 1.146 280 F HN 0.615 nan 8.300 nan 0.000 0.522 281 S N -0.314 115.507 115.700 0.202 0.000 2.439 281 S HA 0.013 4.571 4.470 0.147 0.000 0.224 281 S C 0.023 174.837 174.600 0.356 0.000 1.029 281 S CA 0.515 58.851 58.200 0.227 0.000 0.946 281 S CB 0.074 63.480 63.200 0.344 0.000 0.797 281 S HN 0.661 nan 8.310 nan 0.000 0.504 282 D N -0.747 119.773 120.400 0.200 0.000 2.891 282 D HA 0.355 5.083 4.640 0.147 0.000 0.224 282 D C -0.377 175.977 176.300 0.090 0.000 1.321 282 D CA -0.738 53.421 54.000 0.266 0.000 0.929 282 D CB 0.803 41.709 40.800 0.176 0.000 1.551 282 D HN 0.019 nan 8.370 nan 0.000 0.574 283 F N 2.147 122.247 119.950 0.251 0.000 2.325 283 F HA 0.080 4.695 4.527 0.147 0.000 0.299 283 F C 2.522 178.447 175.800 0.207 0.000 1.090 283 F CA 0.907 58.998 58.000 0.152 0.000 1.392 283 F CB -0.260 38.797 39.000 0.094 0.000 1.053 283 F HN 0.525 nan 8.300 nan 0.000 0.521 284 A N 0.005 123.029 122.820 0.340 0.000 2.125 284 A HA -0.144 4.264 4.320 0.147 0.000 0.219 284 A C 1.656 179.326 177.584 0.144 0.000 1.156 284 A CA 1.269 53.444 52.037 0.230 0.000 0.671 284 A CB -0.562 18.534 19.000 0.159 0.000 0.794 284 A HN 0.401 nan 8.150 nan 0.000 0.459 285 K N -0.753 119.712 120.400 0.109 0.000 2.564 285 K HA 0.215 4.623 4.320 0.147 0.000 0.205 285 K C 0.677 177.245 176.600 -0.053 0.000 1.053 285 K CA -0.072 56.204 56.287 -0.019 0.000 1.072 285 K CB 0.069 32.538 32.500 -0.053 0.000 0.822 285 K HN 0.577 nan 8.250 nan 0.000 0.497 286 F N 1.772 121.627 119.950 -0.159 0.000 2.250 286 F HA -0.208 4.407 4.527 0.147 0.000 0.301 286 F C 1.744 177.456 175.800 -0.145 0.000 1.077 286 F CA 1.173 58.967 58.000 -0.343 0.000 1.348 286 F CB -0.399 38.172 39.000 -0.716 0.000 1.040 286 F HN 0.052 nan 8.300 nan 0.000 0.509 287 D N 1.232 121.073 120.400 -0.930 0.000 2.218 287 D HA -0.212 4.516 4.640 0.147 0.000 0.204 287 D C 1.800 177.923 176.300 -0.295 0.000 0.976 287 D CA 0.984 54.603 54.000 -0.634 0.000 0.853 287 D CB -0.681 39.725 40.800 -0.657 0.000 0.939 287 D HN 0.444 nan 8.370 nan 0.000 0.481 288 R N 0.515 120.884 120.500 -0.219 0.000 2.189 288 R HA 0.075 4.503 4.340 0.147 0.000 0.223 288 R C 2.471 178.677 176.300 -0.157 0.000 1.092 288 R CA 0.958 56.975 56.100 -0.138 0.000 0.989 288 R CB -0.228 30.027 30.300 -0.075 0.000 0.876 288 R HN 0.242 nan 8.270 nan 0.000 0.457 289 A N 1.486 124.192 122.820 -0.190 0.000 1.898 289 A HA -0.096 4.312 4.320 0.147 0.000 0.216 289 A C 2.399 179.588 177.584 -0.659 0.000 1.181 289 A CA 1.555 53.331 52.037 -0.436 0.000 0.620 289 A CB -0.552 18.095 19.000 -0.589 0.000 0.819 289 A HN 0.357 nan 8.150 nan 0.000 0.442 290 A N -0.728 121.821 122.820 -0.451 0.000 1.883 290 A HA -0.234 4.174 4.320 0.147 0.000 0.217 290 A C 2.169 179.675 177.584 -0.129 0.000 1.186 290 A CA 1.782 53.711 52.037 -0.180 0.000 0.624 290 A CB -0.558 18.409 19.000 -0.056 0.000 0.822 290 A HN 0.564 nan 8.150 nan 0.000 0.444 291 Q N -0.264 119.442 119.800 -0.158 0.000 2.020 291 Q HA -0.105 4.323 4.340 0.147 0.000 0.202 291 Q C 2.288 178.196 176.000 -0.152 0.000 0.982 291 Q CA 1.442 57.168 55.803 -0.129 0.000 0.838 291 Q CB -0.569 28.095 28.738 -0.123 0.000 0.899 291 Q HN 0.723 nan 8.270 nan 0.000 0.423 292 L N -0.015 121.094 121.223 -0.189 0.000 2.079 292 L HA -0.233 4.195 4.340 0.147 0.000 0.210 292 L C 2.508 179.229 176.870 -0.248 0.000 1.081 292 L CA 1.445 56.204 54.840 -0.135 0.000 0.752 292 L CB -0.686 41.374 42.059 0.002 0.000 0.896 292 L HN 0.313 nan 8.230 nan 0.000 0.433 293 H N 0.411 119.050 119.070 -0.718 0.000 2.387 293 H HA -0.160 4.484 4.556 0.147 0.000 0.299 293 H C 2.133 177.379 175.328 -0.136 0.000 1.099 293 H CA 1.694 57.419 56.048 -0.538 0.000 1.315 293 H CB 0.073 29.650 29.762 -0.307 0.000 1.380 293 H HN 0.188 nan 8.280 nan 0.000 0.513 294 L N -1.187 119.977 121.223 -0.098 0.000 2.131 294 L HA 0.034 4.462 4.340 0.147 0.000 0.206 294 L C 2.836 179.653 176.870 -0.089 0.000 1.087 294 L CA 0.773 55.560 54.840 -0.089 0.000 0.767 294 L CB -0.850 41.184 42.059 -0.042 0.000 0.917 294 L HN 0.459 nan 8.230 nan 0.000 0.441 295 G N 0.488 109.222 108.800 -0.110 0.000 2.529 295 G HA2 -0.309 3.739 3.960 0.147 0.000 0.219 295 G HA3 -0.309 3.739 3.960 0.147 0.000 0.219 295 G C 1.392 176.180 174.900 -0.187 0.000 1.177 295 G CA 0.870 45.849 45.100 -0.201 0.000 0.773 295 G HN 0.188 nan 8.290 nan 0.000 0.573 296 F N 0.784 120.678 119.950 -0.093 0.000 2.186 296 F HA 0.012 4.627 4.527 0.147 0.000 0.299 296 F C 3.097 178.978 175.800 0.136 0.000 1.090 296 F CA 1.488 59.512 58.000 0.040 0.000 1.307 296 F CB -0.247 38.861 39.000 0.180 0.000 1.019 296 F HN 0.162 nan 8.300 nan 0.000 0.489 297 Q N -0.183 119.718 119.800 0.168 0.000 2.050 297 Q HA -0.178 4.250 4.340 0.147 0.000 0.202 297 Q C 2.552 178.620 176.000 0.112 0.000 0.980 297 Q CA 1.467 57.334 55.803 0.107 0.000 0.840 297 Q CB -0.471 28.236 28.738 -0.052 0.000 0.898 297 Q HN 0.422 nan 8.270 nan 0.000 0.424 298 A N 0.827 123.664 122.820 0.029 0.000 1.940 298 A HA -0.182 4.226 4.320 0.147 0.000 0.219 298 A C 2.036 179.636 177.584 0.026 0.000 1.176 298 A CA 1.019 53.065 52.037 0.015 0.000 0.631 298 A CB -0.706 18.270 19.000 -0.039 0.000 0.814 298 A HN 0.327 nan 8.150 nan 0.000 0.446 299 L N -1.464 119.721 121.223 -0.064 0.000 2.012 299 L HA -0.261 4.167 4.340 0.147 0.000 0.210 299 L C 2.603 179.407 176.870 -0.111 0.000 1.073 299 L CA 2.059 56.791 54.840 -0.180 0.000 0.748 299 L CB -0.628 41.196 42.059 -0.392 0.000 0.891 299 L HN 0.556 nan 8.230 nan 0.000 0.431 300 H N -1.477 117.632 119.070 0.065 0.000 2.395 300 H HA -0.148 4.496 4.556 0.147 0.000 0.299 300 H C 2.289 177.668 175.328 0.085 0.000 1.070 300 H CA 0.983 57.082 56.048 0.084 0.000 1.356 300 H CB -0.014 29.791 29.762 0.072 0.000 1.401 300 H HN 0.313 nan 8.280 nan 0.000 0.524 301 Q N -0.339 119.566 119.800 0.174 0.000 2.061 301 Q HA -0.193 4.235 4.340 0.147 0.000 0.204 301 Q C 1.825 177.892 176.000 0.112 0.000 0.984 301 Q CA 1.629 57.496 55.803 0.107 0.000 0.846 301 Q CB -0.221 28.562 28.738 0.076 0.000 0.902 301 Q HN 0.447 nan 8.270 nan 0.000 0.421 302 F N 0.516 120.480 119.950 0.023 0.000 2.095 302 F HA -0.296 4.319 4.527 0.147 0.000 0.298 302 F C 2.087 177.960 175.800 0.122 0.000 1.104 302 F CA 1.506 59.552 58.000 0.077 0.000 1.232 302 F CB -0.307 38.702 39.000 0.015 0.000 0.987 302 F HN 0.072 nan 8.300 nan 0.000 0.475 303 A N -0.217 122.778 122.820 0.291 0.000 1.877 303 A HA -0.161 4.248 4.320 0.147 0.000 0.216 303 A C 2.292 179.925 177.584 0.082 0.000 1.186 303 A CA 1.980 54.133 52.037 0.192 0.000 0.620 303 A CB -1.433 17.653 19.000 0.144 0.000 0.822 303 A HN 0.273 nan 8.150 nan 0.000 0.443 304 V N -0.014 119.936 119.914 0.059 0.000 2.278 304 V HA -0.347 3.861 4.120 0.147 0.000 0.251 304 V C 2.668 178.715 176.094 -0.078 0.000 1.062 304 V CA 2.545 64.848 62.300 0.005 0.000 1.038 304 V CB -0.805 31.025 31.823 0.011 0.000 0.646 304 V HN 0.552 nan 8.190 nan 0.000 0.447 305 R N -1.291 119.108 120.500 -0.168 0.000 2.152 305 R HA -0.068 4.360 4.340 0.147 0.000 0.232 305 R C 0.983 176.974 176.300 -0.514 0.000 1.117 305 R CA 0.923 56.798 56.100 -0.375 0.000 0.981 305 R CB -0.078 29.888 30.300 -0.557 0.000 0.870 305 R HN 0.606 nan 8.270 nan 0.000 0.451 306 H N 0.465 119.406 119.070 -0.214 0.000 2.500 306 H HA 0.179 4.823 4.556 0.147 0.000 0.243 306 H C -0.355 174.933 175.328 -0.066 0.000 1.318 306 H CA -0.479 55.460 56.048 -0.181 0.000 1.077 306 H CB 0.134 29.716 29.762 -0.299 0.000 1.748 306 H HN 0.140 nan 8.280 nan 0.000 0.556 307 N N 1.247 119.959 118.700 0.019 0.000 2.708 307 N HA -0.201 4.627 4.740 0.147 0.000 0.251 307 N C 1.352 176.896 175.510 0.057 0.000 1.017 307 N CA 1.181 54.251 53.050 0.032 0.000 0.742 307 N CB -1.159 37.347 38.487 0.033 0.000 0.943 307 N HN 0.933 nan 8.380 nan 0.000 0.539 308 G N -1.130 107.712 108.800 0.069 0.000 2.175 308 G HA2 -0.348 3.700 3.960 0.147 0.000 0.265 308 G HA3 -0.348 3.700 3.960 0.147 0.000 0.265 308 G C -0.007 174.952 174.900 0.099 0.000 0.979 308 G CA 0.710 45.861 45.100 0.084 0.000 0.663 308 G HN 0.515 nan 8.290 nan 0.000 0.533 309 E N 0.088 120.362 120.200 0.123 0.000 2.373 309 E HA 0.440 4.878 4.350 0.147 0.000 0.267 309 E C 1.288 178.000 176.600 0.186 0.000 1.032 309 E CA -0.354 56.123 56.400 0.130 0.000 0.889 309 E CB 0.926 30.702 29.700 0.126 0.000 0.984 309 E HN 0.442 nan 8.360 nan 0.000 0.425 310 L N 3.157 124.434 121.223 0.089 0.000 2.466 310 L HA 0.213 4.641 4.340 0.147 0.000 0.257 310 L C -1.936 174.896 176.870 -0.063 0.000 1.189 310 L CA -1.900 52.941 54.840 0.001 0.000 0.813 310 L CB -0.203 41.806 42.059 -0.084 0.000 1.118 310 L HN 0.175 nan 8.230 nan 0.000 0.471 311 P HA -0.045 nan 4.420 nan 0.000 0.266 311 P C -1.063 176.089 177.300 -0.246 0.000 1.186 311 P CA 0.135 62.828 63.100 -0.678 0.000 0.767 311 P CB 0.275 31.463 31.700 -0.854 0.000 0.820 312 R N 1.144 121.559 120.500 -0.142 0.000 2.500 312 R HA 0.357 4.785 4.340 0.147 0.000 0.275 312 R C -0.648 175.611 176.300 -0.069 0.000 1.051 312 R CA -0.508 55.547 56.100 -0.074 0.000 1.088 312 R CB -0.398 29.880 30.300 -0.036 0.000 1.063 312 R HN 0.280 nan 8.270 nan 0.000 0.511 313 T N 4.554 119.072 114.554 -0.060 0.000 2.866 313 T HA -0.009 4.429 4.350 0.147 0.000 0.293 313 T C 0.950 175.578 174.700 -0.121 0.000 1.005 313 T CA 0.230 62.289 62.100 -0.069 0.000 1.162 313 T CB 0.017 68.850 68.868 -0.058 0.000 0.968 313 T HN 0.603 nan 8.240 nan 0.000 0.530 314 M N 1.084 120.567 119.600 -0.195 0.000 2.682 314 M HA -0.214 4.354 4.480 0.147 0.000 0.196 314 M C 0.231 176.273 176.300 -0.430 0.000 0.542 314 M CA 0.543 55.486 55.300 -0.595 0.000 0.593 314 M CB -2.227 30.078 32.600 -0.493 0.000 2.183 314 M HN 0.734 nan 8.290 nan 0.000 0.663 315 N N 1.367 120.028 118.700 -0.065 0.000 2.420 315 N HA 0.107 4.935 4.740 0.147 0.000 0.249 315 N C 0.440 176.043 175.510 0.155 0.000 1.033 315 N CA -0.260 52.798 53.050 0.013 0.000 0.944 315 N CB 0.902 39.385 38.487 -0.007 0.000 1.113 315 N HN 0.062 nan 8.380 nan 0.000 0.502 316 D N 2.579 123.055 120.400 0.126 0.000 2.104 316 D HA -0.210 4.518 4.640 0.147 0.000 0.194 316 D C 1.388 177.733 176.300 0.074 0.000 0.994 316 D CA 1.322 55.408 54.000 0.144 0.000 0.830 316 D CB 0.174 41.023 40.800 0.082 0.000 0.959 316 D HN 0.719 nan 8.370 nan 0.000 0.452 317 E N 0.322 120.553 120.200 0.053 0.000 2.038 317 E HA -0.210 4.228 4.350 0.147 0.000 0.195 317 E C 1.367 178.009 176.600 0.071 0.000 1.000 317 E CA 1.445 57.876 56.400 0.051 0.000 0.803 317 E CB 0.117 29.844 29.700 0.045 0.000 0.750 317 E HN 0.127 nan 8.360 nan 0.000 0.448 318 D N 0.054 120.495 120.400 0.068 0.000 2.117 318 D HA -0.146 4.582 4.640 0.147 0.000 0.197 318 D C 1.777 178.047 176.300 -0.051 0.000 0.987 318 D CA 1.359 55.398 54.000 0.066 0.000 0.829 318 D CB -0.418 40.335 40.800 -0.079 0.000 0.961 318 D HN 0.310 nan 8.370 nan 0.000 0.460 319 A N 1.191 123.973 122.820 -0.064 0.000 1.877 319 A HA -0.222 4.186 4.320 0.147 0.000 0.216 319 A C 2.001 179.514 177.584 -0.118 0.000 1.186 319 A CA 1.532 53.470 52.037 -0.165 0.000 0.620 319 A CB -0.577 18.289 19.000 -0.224 0.000 0.822 319 A HN 0.120 nan 8.150 nan 0.000 0.443 320 N N -0.254 118.418 118.700 -0.046 0.000 2.149 320 N HA -0.187 4.641 4.740 0.147 0.000 0.188 320 N C 1.688 177.203 175.510 0.007 0.000 1.019 320 N CA 1.568 54.604 53.050 -0.024 0.000 0.857 320 N CB -0.424 38.063 38.487 -0.000 0.000 0.997 320 N HN 0.775 nan 8.380 nan 0.000 0.426 321 E N 0.101 120.341 120.200 0.066 0.000 2.110 321 E HA -0.133 4.305 4.350 0.147 0.000 0.193 321 E C 1.843 178.519 176.600 0.127 0.000 0.988 321 E CA 0.525 57.010 56.400 0.141 0.000 0.804 321 E CB -0.002 29.884 29.700 0.310 0.000 0.745 321 E HN 0.097 nan 8.360 nan 0.000 0.458 322 L N 0.725 121.974 121.223 0.043 0.000 2.056 322 L HA -0.096 4.332 4.340 0.147 0.000 0.207 322 L C 2.096 178.925 176.870 -0.068 0.000 1.078 322 L CA 1.360 56.175 54.840 -0.040 0.000 0.749 322 L CB -0.228 41.703 42.059 -0.212 0.000 0.901 322 L HN 0.218 nan 8.230 nan 0.000 0.433 323 I N -0.860 119.657 120.570 -0.087 0.000 2.286 323 I HA -0.291 3.967 4.170 0.147 0.000 0.248 323 I C 2.421 178.508 176.117 -0.050 0.000 1.115 323 I CA 0.963 62.210 61.300 -0.088 0.000 1.392 323 I CB -0.274 37.669 38.000 -0.096 0.000 1.065 323 I HN 0.189 nan 8.210 nan 0.000 0.418 324 K N 1.380 121.766 120.400 -0.023 0.000 2.026 324 K HA -0.116 4.292 4.320 0.147 0.000 0.208 324 K C 1.955 178.552 176.600 -0.006 0.000 1.048 324 K CA 1.621 57.902 56.287 -0.009 0.000 0.929 324 K CB -0.471 32.034 32.500 0.009 0.000 0.713 324 K HN 0.214 nan 8.250 nan 0.000 0.439 325 L N -0.322 120.905 121.223 0.007 0.000 2.046 325 L HA -0.180 4.248 4.340 0.147 0.000 0.208 325 L C 2.214 179.077 176.870 -0.012 0.000 1.077 325 L CA 0.986 55.833 54.840 0.010 0.000 0.747 325 L CB -0.399 41.686 42.059 0.043 0.000 0.896 325 L HN 0.006 nan 8.230 nan 0.000 0.432 326 V N -0.733 119.160 119.914 -0.034 0.000 2.358 326 V HA -0.248 3.960 4.120 0.147 0.000 0.246 326 V C 2.536 178.609 176.094 -0.035 0.000 1.047 326 V CA 2.214 64.486 62.300 -0.047 0.000 1.035 326 V CB -0.618 31.157 31.823 -0.079 0.000 0.658 326 V HN 0.471 nan 8.190 nan 0.000 0.452 327 T N -0.291 114.243 114.554 -0.034 0.000 2.720 327 T HA -0.214 4.224 4.350 0.147 0.000 0.268 327 T C 1.644 176.333 174.700 -0.017 0.000 1.037 327 T CA 1.753 63.837 62.100 -0.027 0.000 1.144 327 T CB -0.416 68.436 68.868 -0.027 0.000 0.864 327 T HN 0.452 nan 8.240 nan 0.000 0.444 328 D N 0.943 121.335 120.400 -0.013 0.000 2.116 328 D HA -0.067 4.661 4.640 0.147 0.000 0.193 328 D C 2.000 178.296 176.300 -0.005 0.000 0.998 328 D CA 0.705 54.700 54.000 -0.008 0.000 0.836 328 D CB -0.414 40.382 40.800 -0.006 0.000 0.951 328 D HN 0.146 nan 8.370 nan 0.000 0.449 329 L N 0.786 122.005 121.223 -0.006 0.000 2.131 329 L HA -0.115 4.313 4.340 0.147 0.000 0.210 329 L C 2.392 179.265 176.870 0.005 0.000 1.092 329 L CA 1.462 56.302 54.840 -0.001 0.000 0.759 329 L CB -1.166 40.890 42.059 -0.004 0.000 0.903 329 L HN 0.085 nan 8.230 nan 0.000 0.435 330 S N -2.625 113.075 115.700 -0.001 0.000 2.501 330 S HA -0.006 4.552 4.470 0.147 0.000 0.220 330 S C 1.889 176.491 174.600 0.003 0.000 0.997 330 S CA 0.461 58.663 58.200 0.003 0.000 0.919 330 S CB -0.316 62.881 63.200 -0.005 0.000 0.778 330 S HN 0.119 nan 8.310 nan 0.000 0.523 331 V N 1.931 121.845 119.914 -0.001 0.000 2.453 331 V HA -0.102 4.106 4.120 0.147 0.000 0.247 331 V C 2.771 178.867 176.094 0.004 0.000 1.048 331 V CA 1.788 64.088 62.300 -0.000 0.000 1.049 331 V CB -0.680 31.141 31.823 -0.004 0.000 0.672 331 V HN 0.554 nan 8.190 nan 0.000 0.457 332 Q N -0.238 119.565 119.800 0.005 0.000 2.187 332 Q HA -0.028 4.400 4.340 0.147 0.000 0.199 332 Q C 0.445 176.453 176.000 0.013 0.000 0.957 332 Q CA 0.739 56.547 55.803 0.007 0.000 0.857 332 Q CB 0.174 28.916 28.738 0.006 0.000 0.929 332 Q HN 0.652 nan 8.270 nan 0.000 0.453 333 Q N -0.059 119.751 119.800 0.017 0.000 2.674 333 Q HA 0.193 4.621 4.340 0.147 0.000 0.249 333 Q C -2.233 173.783 176.000 0.026 0.000 1.011 333 Q CA -1.621 54.197 55.803 0.024 0.000 0.734 333 Q CB 1.551 30.309 28.738 0.034 0.000 1.201 333 Q HN -0.018 nan 8.270 nan 0.000 0.498 334 P HA -0.175 nan 4.420 nan 0.000 0.222 334 P C 0.281 177.598 177.300 0.029 0.000 1.147 334 P CA 1.067 64.180 63.100 0.021 0.000 0.790 334 P CB 0.441 32.151 31.700 0.017 0.000 0.780 335 E N -0.574 119.647 120.200 0.035 0.000 2.204 335 E HA -0.116 4.322 4.350 0.147 0.000 0.194 335 E C 1.897 178.531 176.600 0.057 0.000 0.989 335 E CA 0.989 57.415 56.400 0.044 0.000 0.824 335 E CB -1.224 28.500 29.700 0.041 0.000 0.756 335 E HN 0.197 nan 8.360 nan 0.000 0.477 336 V N -0.502 119.447 119.914 0.059 0.000 2.307 336 V HA -0.186 4.022 4.120 0.147 0.000 0.245 336 V C 2.095 178.239 176.094 0.083 0.000 1.045 336 V CA 1.435 63.784 62.300 0.082 0.000 1.024 336 V CB -0.759 31.123 31.823 0.099 0.000 0.651 336 V HN 0.172 nan 8.190 nan 0.000 0.449 337 L N 0.652 121.906 121.223 0.051 0.000 2.307 337 L HA 0.527 4.955 4.340 0.147 0.000 0.211 337 L C 1.208 178.098 176.870 0.034 0.000 1.099 337 L CA 0.836 55.694 54.840 0.029 0.000 0.816 337 L CB -0.647 41.414 42.059 0.003 0.000 0.952 337 L HN 0.688 nan 8.230 nan 0.000 0.455 338 G N 0.413 109.236 108.800 0.039 0.000 2.587 338 G HA2 -0.149 3.899 3.960 0.147 0.000 0.686 338 G HA3 -0.149 3.899 3.960 0.147 0.000 0.686 338 G C -0.609 174.307 174.900 0.027 0.000 1.236 338 G CA -0.942 44.183 45.100 0.041 0.000 0.820 338 G HN 0.050 nan 8.290 nan 0.000 0.645 339 E N 0.408 120.625 120.200 0.028 0.000 2.694 339 E HA 0.277 4.715 4.350 0.147 0.000 0.250 339 E C 1.551 178.160 176.600 0.015 0.000 0.963 339 E CA 1.821 58.233 56.400 0.021 0.000 0.949 339 E CB 0.073 29.787 29.700 0.023 0.000 0.911 339 E HN 2.214 nan 8.360 nan 0.000 0.500 340 G N 2.508 111.314 108.800 0.008 0.000 2.166 340 G HA2 -0.303 3.745 3.960 0.147 0.000 0.260 340 G HA3 -0.303 3.745 3.960 0.147 0.000 0.260 340 G C 0.330 175.228 174.900 -0.003 0.000 0.986 340 G CA 0.370 45.472 45.100 0.003 0.000 0.683 340 G HN 0.426 nan 8.290 nan 0.000 0.527 341 V N 1.682 121.594 119.914 -0.003 0.000 2.461 341 V HA 0.338 4.546 4.120 0.147 0.000 0.275 341 V C 0.379 176.460 176.094 -0.022 0.000 1.047 341 V CA -0.960 61.331 62.300 -0.014 0.000 0.955 341 V CB 1.390 33.204 31.823 -0.015 0.000 0.988 341 V HN 0.282 nan 8.190 nan 0.000 0.471 342 D N 2.825 123.207 120.400 -0.030 0.000 2.313 342 D HA 0.278 5.006 4.640 0.147 0.000 0.247 342 D C -0.002 176.271 176.300 -0.046 0.000 1.094 342 D CA -0.325 53.654 54.000 -0.035 0.000 0.925 342 D CB 2.153 42.931 40.800 -0.036 0.000 1.188 342 D HN 0.261 nan 8.370 nan 0.000 0.430 343 V N 2.395 122.280 119.914 -0.048 0.000 2.694 343 V HA -0.120 4.089 4.120 0.147 0.000 0.306 343 V C 1.071 177.122 176.094 -0.072 0.000 1.054 343 V CA 0.026 62.289 62.300 -0.062 0.000 1.161 343 V CB 0.281 32.067 31.823 -0.062 0.000 0.916 343 V HN 0.462 nan 8.190 nan 0.000 0.490 344 N N 3.995 122.643 118.700 -0.086 0.000 2.807 344 N HA 0.071 4.899 4.740 0.147 0.000 0.259 344 N C 1.107 176.554 175.510 -0.105 0.000 1.149 344 N CA 0.089 53.084 53.050 -0.092 0.000 1.042 344 N CB 0.347 38.775 38.487 -0.098 0.000 1.367 344 N HN 0.705 nan 8.380 nan 0.000 0.516 345 E N 1.003 121.144 120.200 -0.098 0.000 2.085 345 E HA -0.207 4.231 4.350 0.147 0.000 0.194 345 E C 0.446 176.962 176.600 -0.140 0.000 0.994 345 E CA 1.212 57.544 56.400 -0.115 0.000 0.801 345 E CB 0.157 29.800 29.700 -0.094 0.000 0.743 345 E HN 0.538 nan 8.360 nan 0.000 0.453 346 D N 0.520 120.848 120.400 -0.119 0.000 2.158 346 D HA -0.166 4.562 4.640 0.147 0.000 0.197 346 D C 1.802 178.023 176.300 -0.133 0.000 0.995 346 D CA 0.655 54.581 54.000 -0.122 0.000 0.846 346 D CB -0.100 40.647 40.800 -0.089 0.000 0.941 346 D HN 0.043 nan 8.370 nan 0.000 0.456 347 L N 0.104 121.257 121.223 -0.116 0.000 2.044 347 L HA -0.077 4.351 4.340 0.147 0.000 0.205 347 L C 1.877 178.636 176.870 -0.186 0.000 1.075 347 L CA 1.178 55.964 54.840 -0.091 0.000 0.747 347 L CB -0.324 41.691 42.059 -0.073 0.000 0.903 347 L HN -0.026 nan 8.230 nan 0.000 0.435 348 I N 0.200 120.635 120.570 -0.225 0.000 2.179 348 I HA -0.301 3.957 4.170 0.147 0.000 0.242 348 I C 2.487 178.384 176.117 -0.367 0.000 1.088 348 I CA 1.480 62.598 61.300 -0.302 0.000 1.357 348 I CB -1.397 36.462 38.000 -0.235 0.000 1.051 348 I HN 0.440 nan 8.210 nan 0.000 0.409 349 K N 0.907 121.094 120.400 -0.355 0.000 2.059 349 K HA -0.242 4.166 4.320 0.147 0.000 0.212 349 K C 1.983 178.175 176.600 -0.680 0.000 1.050 349 K CA 1.696 57.660 56.287 -0.539 0.000 0.927 349 K CB 0.028 32.228 32.500 -0.500 0.000 0.714 349 K HN 0.193 nan 8.250 nan 0.000 0.447 350 E N 0.753 120.716 120.200 -0.396 0.000 2.072 350 E HA -0.178 4.260 4.350 0.147 0.000 0.191 350 E C 2.049 178.552 176.600 -0.162 0.000 0.985 350 E CA 0.811 57.107 56.400 -0.174 0.000 0.801 350 E CB -0.328 29.416 29.700 0.074 0.000 0.750 350 E HN 0.281 nan 8.360 nan 0.000 0.452 351 L N 1.046 121.960 121.223 -0.515 0.000 2.043 351 L HA -0.206 4.222 4.340 0.147 0.000 0.212 351 L C 2.460 179.012 176.870 -0.530 0.000 1.075 351 L CA 1.925 56.218 54.840 -0.912 0.000 0.752 351 L CB -0.830 40.557 42.059 -1.120 0.000 0.891 351 L HN 0.005 nan 8.230 nan 0.000 0.432 352 S N -1.585 113.836 115.700 -0.465 0.000 2.348 352 S HA -0.229 4.329 4.470 0.147 0.000 0.221 352 S C 2.051 176.538 174.600 -0.188 0.000 1.033 352 S CA 1.400 59.366 58.200 -0.391 0.000 1.010 352 S CB -0.597 62.352 63.200 -0.418 0.000 0.891 352 S HN 0.623 nan 8.310 nan 0.000 0.442 353 Y N 0.823 120.998 120.300 -0.209 0.000 2.256 353 Y HA -0.112 4.526 4.550 0.147 0.000 0.288 353 Y C 2.301 178.117 175.900 -0.139 0.000 1.155 353 Y CA 0.913 58.918 58.100 -0.158 0.000 1.203 353 Y CB -0.027 38.357 38.460 -0.127 0.000 0.980 353 Y HN 0.425 nan 8.280 nan 0.000 0.530 354 Q N -0.729 119.099 119.800 0.047 0.000 2.188 354 Q HA 0.211 4.639 4.340 0.147 0.000 0.212 354 Q C 1.706 177.699 176.000 -0.011 0.000 0.846 354 Q CA 0.098 55.914 55.803 0.021 0.000 0.989 354 Q CB 0.699 29.490 28.738 0.088 0.000 1.114 354 Q HN 0.367 nan 8.270 nan 0.000 0.488 355 A N 0.990 123.755 122.820 -0.091 0.000 1.968 355 A HA -0.111 4.297 4.320 0.147 0.000 0.217 355 A C 1.874 179.418 177.584 -0.068 0.000 1.169 355 A CA 0.890 52.846 52.037 -0.136 0.000 0.638 355 A CB -0.014 18.839 19.000 -0.244 0.000 0.812 355 A HN 0.207 nan 8.150 nan 0.000 0.446 356 R N -0.161 120.310 120.500 -0.047 0.000 2.313 356 R HA 0.104 4.532 4.340 0.147 0.000 0.199 356 R C 1.030 177.343 176.300 0.021 0.000 0.958 356 R CA 0.188 56.279 56.100 -0.014 0.000 1.047 356 R CB -0.015 30.275 30.300 -0.016 0.000 0.955 356 R HN 0.440 nan 8.270 nan 0.000 0.481 357 G N 0.378 109.197 108.800 0.031 0.000 2.539 357 G HA2 0.101 4.149 3.960 0.147 0.000 0.258 357 G HA3 0.101 4.149 3.960 0.147 0.000 0.258 357 G C -0.944 174.016 174.900 0.100 0.000 1.202 357 G CA -0.175 44.963 45.100 0.062 0.000 0.851 357 G HN 0.013 nan 8.290 nan 0.000 0.556 358 D N 0.539 121.020 120.400 0.135 0.000 2.328 358 D HA 0.205 4.933 4.640 0.147 0.000 0.243 358 D C -0.659 175.767 176.300 0.211 0.000 1.324 358 D CA -0.472 53.620 54.000 0.154 0.000 0.966 358 D CB 0.554 41.426 40.800 0.121 0.000 1.324 358 D HN 0.017 nan 8.370 nan 0.000 0.549 359 I N 4.952 125.670 120.570 0.248 0.000 2.330 359 I HA 0.281 4.540 4.170 0.147 0.000 0.289 359 I C -1.445 174.861 176.117 0.315 0.000 1.001 359 I CA -2.558 58.940 61.300 0.330 0.000 1.193 359 I CB 1.290 39.516 38.000 0.377 0.000 1.345 359 I HN 0.095 nan 8.210 nan 0.000 0.461 360 P HA -0.173 nan 4.420 nan 0.000 0.214 360 P C 1.653 179.102 177.300 0.248 0.000 1.169 360 P CA 1.857 65.107 63.100 0.251 0.000 0.908 360 P CB 0.333 32.175 31.700 0.236 0.000 0.791 361 G N -0.445 108.516 108.800 0.269 0.000 2.529 361 G HA2 -0.309 3.739 3.960 0.147 0.000 0.219 361 G HA3 -0.309 3.739 3.960 0.147 0.000 0.219 361 G C 1.618 176.695 174.900 0.296 0.000 1.177 361 G CA 1.518 46.771 45.100 0.255 0.000 0.773 361 G HN 0.187 nan 8.290 nan 0.000 0.573 362 V N 0.244 120.369 119.914 0.352 0.000 2.343 362 V HA -0.158 4.050 4.120 0.147 0.000 0.247 362 V C 2.987 179.348 176.094 0.445 0.000 1.051 362 V CA 1.479 64.037 62.300 0.431 0.000 1.036 362 V CB -0.493 31.597 31.823 0.445 0.000 0.654 362 V HN 0.252 nan 8.190 nan 0.000 0.451 363 V N 0.281 120.391 119.914 0.327 0.000 2.307 363 V HA -0.223 3.985 4.120 0.147 0.000 0.245 363 V C 2.746 178.972 176.094 0.221 0.000 1.045 363 V CA 1.963 64.422 62.300 0.265 0.000 1.024 363 V CB -1.014 30.930 31.823 0.202 0.000 0.651 363 V HN 0.551 nan 8.190 nan 0.000 0.449 364 A N -0.420 122.515 122.820 0.191 0.000 1.908 364 A HA -0.269 4.139 4.320 0.147 0.000 0.218 364 A C 2.101 179.751 177.584 0.110 0.000 1.181 364 A CA 2.184 54.293 52.037 0.120 0.000 0.627 364 A CB -0.739 18.321 19.000 0.100 0.000 0.818 364 A HN 0.532 nan 8.150 nan 0.000 0.445 365 F N -0.367 119.582 119.950 -0.002 0.000 2.026 365 F HA -0.172 4.443 4.527 0.147 0.000 0.296 365 F C 1.988 177.658 175.800 -0.217 0.000 1.133 365 F CA 1.918 59.818 58.000 -0.167 0.000 1.188 365 F CB -0.701 38.091 39.000 -0.346 0.000 0.968 365 F HN 0.216 nan 8.300 nan 0.000 0.476 366 F N 0.672 120.530 119.950 -0.153 0.000 2.134 366 F HA -0.039 4.576 4.527 0.147 0.000 0.299 366 F C 2.735 178.427 175.800 -0.180 0.000 1.097 366 F CA 1.515 59.373 58.000 -0.238 0.000 1.264 366 F CB -1.309 37.662 39.000 -0.048 0.000 1.001 366 F HN 0.104 nan 8.300 nan 0.000 0.479 367 G N -0.290 108.556 108.800 0.077 0.000 2.469 367 G HA2 -0.228 3.820 3.960 0.147 0.000 0.220 367 G HA3 -0.228 3.820 3.960 0.147 0.000 0.220 367 G C 1.982 176.852 174.900 -0.051 0.000 1.136 367 G CA 0.981 46.091 45.100 0.017 0.000 0.759 367 G HN 0.525 nan 8.290 nan 0.000 0.562 368 G N 0.884 109.623 108.800 -0.102 0.000 2.453 368 G HA2 -0.184 3.864 3.960 0.147 0.000 0.215 368 G HA3 -0.184 3.864 3.960 0.147 0.000 0.215 368 G C 1.709 176.524 174.900 -0.141 0.000 1.201 368 G CA 0.905 45.933 45.100 -0.120 0.000 0.784 368 G HN 0.385 nan 8.290 nan 0.000 0.545 369 L N 1.070 122.145 121.223 -0.248 0.000 2.012 369 L HA -0.087 4.341 4.340 0.147 0.000 0.210 369 L C 2.774 179.583 176.870 -0.103 0.000 1.073 369 L CA 2.054 56.769 54.840 -0.209 0.000 0.748 369 L CB -0.941 40.857 42.059 -0.435 0.000 0.891 369 L HN 0.172 nan 8.230 nan 0.000 0.431 370 V N 1.043 120.910 119.914 -0.078 0.000 2.343 370 V HA -0.235 3.974 4.120 0.147 0.000 0.247 370 V C 3.160 179.223 176.094 -0.053 0.000 1.051 370 V CA 1.566 63.838 62.300 -0.046 0.000 1.036 370 V CB -1.312 30.502 31.823 -0.016 0.000 0.654 370 V HN 0.624 nan 8.190 nan 0.000 0.451 371 A N -0.842 121.951 122.820 -0.045 0.000 1.883 371 A HA -0.296 4.112 4.320 0.147 0.000 0.217 371 A C 2.221 179.792 177.584 -0.021 0.000 1.186 371 A CA 1.943 53.960 52.037 -0.032 0.000 0.624 371 A CB -0.608 18.376 19.000 -0.027 0.000 0.822 371 A HN 0.476 nan 8.150 nan 0.000 0.444 372 Q N -0.360 119.427 119.800 -0.022 0.000 2.077 372 Q HA -0.194 4.234 4.340 0.147 0.000 0.206 372 Q C 2.019 178.029 176.000 0.017 0.000 0.989 372 Q CA 1.814 57.622 55.803 0.007 0.000 0.853 372 Q CB -0.423 28.303 28.738 -0.019 0.000 0.907 372 Q HN 0.692 nan 8.270 nan 0.000 0.418 373 E N -0.292 119.895 120.200 -0.021 0.000 2.118 373 E HA -0.116 4.322 4.350 0.147 0.000 0.195 373 E C 2.179 178.735 176.600 -0.073 0.000 0.992 373 E CA 0.800 57.170 56.400 -0.050 0.000 0.804 373 E CB -0.282 29.366 29.700 -0.087 0.000 0.741 373 E HN 0.173 nan 8.360 nan 0.000 0.458 374 V N 1.697 121.573 119.914 -0.064 0.000 2.295 374 V HA -0.245 3.963 4.120 0.147 0.000 0.246 374 V C 2.531 178.613 176.094 -0.022 0.000 1.049 374 V CA 1.402 63.666 62.300 -0.060 0.000 1.024 374 V CB -0.554 31.238 31.823 -0.052 0.000 0.648 374 V HN 0.213 nan 8.190 nan 0.000 0.447 375 L N -0.549 120.677 121.223 0.005 0.000 2.083 375 L HA -0.211 4.217 4.340 0.147 0.000 0.209 375 L C 2.589 179.481 176.870 0.037 0.000 1.083 375 L CA 1.723 56.577 54.840 0.024 0.000 0.752 375 L CB -0.718 41.369 42.059 0.047 0.000 0.899 375 L HN 0.316 nan 8.230 nan 0.000 0.433 376 K N 0.354 120.790 120.400 0.061 0.000 2.026 376 K HA -0.149 4.259 4.320 0.147 0.000 0.208 376 K C 2.232 178.903 176.600 0.118 0.000 1.048 376 K CA 1.455 57.796 56.287 0.090 0.000 0.929 376 K CB -0.317 32.234 32.500 0.085 0.000 0.713 376 K HN 0.274 nan 8.250 nan 0.000 0.439 377 A N 0.755 123.575 122.820 -0.000 0.000 2.019 377 A HA -0.163 4.245 4.320 0.147 0.000 0.219 377 A C 2.209 179.901 177.584 0.180 0.000 1.164 377 A CA 1.327 53.365 52.037 0.002 0.000 0.644 377 A CB -0.743 18.173 19.000 -0.139 0.000 0.805 377 A HN 0.422 nan 8.150 nan 0.000 0.449 378 C N -0.661 118.695 119.300 0.093 0.000 2.495 378 C HA 0.102 4.650 4.460 0.147 0.000 0.275 378 C C 2.903 177.916 174.990 0.038 0.000 1.392 378 C CA 1.034 60.087 59.018 0.059 0.000 1.766 378 C CB -0.672 27.079 27.740 0.017 0.000 1.933 378 C HN 0.788 nan 8.230 nan 0.000 0.519 379 S N -1.552 114.179 115.700 0.052 0.000 2.619 379 S HA 0.378 4.936 4.470 0.147 0.000 0.238 379 S C 1.474 176.045 174.600 -0.048 0.000 1.068 379 S CA 0.995 59.178 58.200 -0.029 0.000 0.926 379 S CB -0.010 63.143 63.200 -0.077 0.000 0.864 379 S HN 0.927 nan 8.310 nan 0.000 0.493 380 G N 1.244 110.080 108.800 0.060 0.000 2.148 380 G HA2 -0.278 3.770 3.960 0.147 0.000 0.254 380 G HA3 -0.278 3.770 3.960 0.147 0.000 0.254 380 G C -0.115 174.785 174.900 -0.000 0.000 0.981 380 G CA 0.481 45.588 45.100 0.012 0.000 0.670 380 G HN 0.764 nan 8.290 nan 0.000 0.528 381 K N -0.054 120.301 120.400 -0.075 0.000 2.213 381 K HA 0.714 5.122 4.320 0.147 0.000 0.270 381 K C 0.517 176.948 176.600 -0.282 0.000 1.002 381 K CA -0.628 55.470 56.287 -0.315 0.000 0.868 381 K CB 0.202 32.373 32.500 -0.548 0.000 1.093 381 K HN 0.643 nan 8.250 nan 0.000 0.454 382 F N -0.430 119.556 119.950 0.060 0.000 2.183 382 F HA -0.256 4.359 4.527 0.147 0.000 0.318 382 F C -0.140 175.710 175.800 0.083 0.000 1.285 382 F CA -0.037 57.995 58.000 0.055 0.000 0.912 382 F CB -0.670 38.348 39.000 0.031 0.000 4.135 382 F HN 0.416 nan 8.300 nan 0.000 0.137 383 T N 3.517 118.243 114.554 0.288 0.000 2.728 383 T HA 0.391 4.829 4.350 0.147 0.000 0.296 383 T C -2.385 172.409 174.700 0.157 0.000 0.940 383 T CA -1.111 61.105 62.100 0.193 0.000 1.013 383 T CB 1.108 70.062 68.868 0.145 0.000 0.912 383 T HN 0.065 nan 8.240 nan 0.000 0.484 384 P HA 0.105 nan 4.420 nan 0.000 0.269 384 P C -0.086 177.276 177.300 0.104 0.000 1.215 384 P CA -0.667 62.484 63.100 0.086 0.000 0.780 384 P CB 0.511 32.254 31.700 0.071 0.000 0.898 385 L N 2.479 123.744 121.223 0.070 0.000 2.530 385 L HA 0.055 4.483 4.340 0.147 0.000 0.273 385 L C 0.774 177.690 176.870 0.077 0.000 1.141 385 L CA -0.017 54.872 54.840 0.082 0.000 0.905 385 L CB -0.211 41.886 42.059 0.064 0.000 1.202 385 L HN 0.226 nan 8.230 nan 0.000 0.473 386 K N 5.318 125.756 120.400 0.064 0.000 2.480 386 K HA 0.128 4.536 4.320 0.147 0.000 0.241 386 K C 0.076 176.671 176.600 -0.008 0.000 1.261 386 K CA 0.280 56.565 56.287 -0.004 0.000 1.193 386 K CB -0.108 32.332 32.500 -0.101 0.000 1.598 386 K HN 0.864 nan 8.250 nan 0.000 0.278 387 Q N -0.730 119.045 119.800 -0.042 0.000 7.753 387 Q HA -0.210 4.219 4.340 0.147 0.000 0.361 387 Q C -0.496 175.408 176.000 -0.162 0.000 1.139 387 Q CA 0.644 56.339 55.803 -0.180 0.000 0.527 387 Q CB -0.866 27.836 28.738 -0.061 0.000 0.160 387 Q HN 0.352 nan 8.270 nan 0.000 0.879 388 F N 1.311 121.330 119.950 0.115 0.000 2.492 388 F HA 0.744 5.359 4.527 0.147 0.000 0.327 388 F C 0.135 176.033 175.800 0.165 0.000 1.079 388 F CA -0.598 57.519 58.000 0.194 0.000 0.967 388 F CB 1.927 41.125 39.000 0.329 0.000 1.169 388 F HN 0.133 nan 8.300 nan 0.000 0.472 389 M N 4.458 124.226 119.600 0.280 0.000 2.277 389 M HA 0.374 4.943 4.480 0.147 0.000 0.282 389 M C -2.130 174.192 176.300 0.036 0.000 1.074 389 M CA -0.385 55.031 55.300 0.192 0.000 0.954 389 M CB 1.773 34.440 32.600 0.112 0.000 1.672 389 M HN 0.601 nan 8.290 nan 0.000 0.471 390 Y N 3.492 123.956 120.300 0.273 0.000 2.468 390 Y HA 0.710 5.348 4.550 0.147 0.000 0.342 390 Y C -0.891 175.250 175.900 0.402 0.000 1.021 390 Y CA -0.551 57.729 58.100 0.301 0.000 1.079 390 Y CB 1.905 40.481 38.460 0.193 0.000 1.226 390 Y HN 0.594 nan 8.280 nan 0.000 0.460 391 F N 2.210 122.436 119.950 0.461 0.000 2.601 391 F HA 0.568 5.183 4.527 0.147 0.000 0.309 391 F C -1.724 174.224 175.800 0.246 0.000 1.089 391 F CA -0.838 57.342 58.000 0.300 0.000 0.940 391 F CB 1.784 41.001 39.000 0.362 0.000 1.273 391 F HN 0.667 nan 8.300 nan 0.000 0.450 392 D N 1.271 121.168 120.400 -0.839 0.000 2.753 392 D HA 0.410 5.138 4.640 0.147 0.000 0.224 392 D C -1.667 173.918 176.300 -1.192 0.000 1.213 392 D CA -0.640 52.854 54.000 -0.843 0.000 0.833 392 D CB 2.009 42.465 40.800 -0.572 0.000 1.607 392 D HN 0.361 nan 8.370 nan 0.000 0.463 393 S N 1.674 116.882 115.700 -0.820 0.000 2.422 393 S HA 0.158 4.716 4.470 0.147 0.000 0.226 393 S C 0.570 174.917 174.600 -0.423 0.000 1.242 393 S CA -0.519 57.337 58.200 -0.574 0.000 1.231 393 S CB -0.383 62.650 63.200 -0.280 0.000 1.067 393 S HN 0.480 nan 8.310 nan 0.000 0.462 394 L N 1.667 122.600 121.223 -0.483 0.000 2.351 394 L HA 0.001 4.429 4.340 0.147 0.000 0.220 394 L C 1.951 178.657 176.870 -0.273 0.000 1.127 394 L CA 1.698 56.310 54.840 -0.380 0.000 0.786 394 L CB -0.745 41.115 42.059 -0.332 0.000 0.914 394 L HN 0.412 nan 8.230 nan 0.000 0.443 395 E N -1.378 118.666 120.200 -0.259 0.000 2.268 395 E HA -0.096 4.343 4.350 0.147 0.000 0.195 395 E C 2.263 178.754 176.600 -0.182 0.000 0.995 395 E CA 0.915 57.186 56.400 -0.214 0.000 0.836 395 E CB -0.205 29.365 29.700 -0.217 0.000 0.763 395 E HN 0.321 nan 8.360 nan 0.000 0.491 396 S N 0.367 115.984 115.700 -0.139 0.000 2.442 396 S HA -0.047 4.511 4.470 0.147 0.000 0.236 396 S C 0.772 175.335 174.600 -0.061 0.000 1.007 396 S CA 0.261 58.450 58.200 -0.019 0.000 0.965 396 S CB -0.216 63.054 63.200 0.116 0.000 0.773 396 S HN 0.215 nan 8.310 nan 0.000 0.504 397 L N 3.587 124.700 121.223 -0.183 0.000 2.540 397 L HA 0.096 4.524 4.340 0.147 0.000 0.276 397 L C -1.975 174.750 176.870 -0.242 0.000 1.212 397 L CA -1.308 53.380 54.840 -0.253 0.000 0.893 397 L CB -0.101 41.796 42.059 -0.270 0.000 1.138 397 L HN 0.072 nan 8.230 nan 0.000 0.491 398 P HA 0.015 nan 4.420 nan 0.000 0.276 398 P C -0.821 176.399 177.300 -0.134 0.000 1.252 398 P CA -0.568 62.331 63.100 -0.335 0.000 0.802 398 P CB 0.578 31.818 31.700 -0.767 0.000 1.035 399 D N 2.284 122.664 120.400 -0.034 0.000 2.451 399 D HA -0.017 4.711 4.640 0.147 0.000 0.254 399 D C -1.133 175.176 176.300 0.016 0.000 1.204 399 D CA -1.523 52.471 54.000 -0.011 0.000 0.896 399 D CB 0.356 41.160 40.800 0.006 0.000 1.136 399 D HN 0.182 nan 8.370 nan 0.000 0.499 400 P HA -0.153 nan 4.420 nan 0.000 0.231 400 P C 1.078 178.354 177.300 -0.040 0.000 1.158 400 P CA 0.796 63.884 63.100 -0.020 0.000 0.763 400 P CB 0.027 31.705 31.700 -0.037 0.000 0.805 401 K N 0.504 120.874 120.400 -0.050 0.000 2.217 401 K HA -0.083 4.325 4.320 0.147 0.000 0.202 401 K C 1.255 177.774 176.600 -0.135 0.000 1.051 401 K CA 1.342 57.584 56.287 -0.075 0.000 0.952 401 K CB -0.550 31.914 32.500 -0.060 0.000 0.736 401 K HN 0.145 nan 8.250 nan 0.000 0.453 402 N N -0.717 117.867 118.700 -0.194 0.000 2.432 402 N HA 0.102 4.931 4.740 0.147 0.000 0.174 402 N C -0.440 174.604 175.510 -0.777 0.000 1.037 402 N CA 0.169 52.924 53.050 -0.491 0.000 0.892 402 N CB 0.382 38.517 38.487 -0.586 0.000 1.049 402 N HN 0.021 nan 8.380 nan 0.000 0.442 403 F N 1.704 121.643 119.950 -0.018 0.000 2.531 403 F HA 0.388 5.004 4.527 0.147 0.000 0.333 403 F C -2.375 173.396 175.800 -0.048 0.000 1.292 403 F CA -2.260 55.734 58.000 -0.011 0.000 1.184 403 F CB 0.861 39.857 39.000 -0.007 0.000 1.426 403 F HN -0.223 nan 8.300 nan 0.000 0.559 404 P HA 0.083 nan 4.420 nan 0.000 0.268 404 P C -0.487 176.814 177.300 0.002 0.000 1.205 404 P CA -0.097 63.003 63.100 -0.001 0.000 0.771 404 P CB 0.872 32.556 31.700 -0.028 0.000 0.858 405 R N 2.769 123.240 120.500 -0.047 0.000 2.265 405 R HA 0.407 4.835 4.340 0.147 0.000 0.328 405 R C 0.177 176.391 176.300 -0.143 0.000 0.969 405 R CA -0.501 55.545 56.100 -0.090 0.000 0.832 405 R CB 0.660 30.884 30.300 -0.128 0.000 1.139 405 R HN 0.650 nan 8.270 nan 0.000 0.457 406 N N -0.705 117.917 118.700 -0.129 0.000 2.825 406 N HA 0.068 4.896 4.740 0.147 0.000 0.253 406 N C 0.063 175.495 175.510 -0.131 0.000 1.426 406 N CA -0.946 52.010 53.050 -0.156 0.000 0.851 406 N CB 0.887 39.309 38.487 -0.108 0.000 1.470 406 N HN 0.255 nan 8.380 nan 0.000 0.517 407 E N -0.199 119.921 120.200 -0.134 0.000 2.171 407 E HA -0.297 4.141 4.350 0.147 0.000 0.197 407 E C 1.030 177.594 176.600 -0.059 0.000 0.997 407 E CA 1.338 57.678 56.400 -0.100 0.000 0.810 407 E CB -0.005 29.644 29.700 -0.086 0.000 0.738 407 E HN 0.656 nan 8.360 nan 0.000 0.467 408 K N 0.613 120.983 120.400 -0.049 0.000 2.044 408 K HA -0.074 4.334 4.320 0.147 0.000 0.204 408 K C 2.269 178.861 176.600 -0.013 0.000 1.049 408 K CA 1.454 57.726 56.287 -0.026 0.000 0.945 408 K CB -0.088 32.399 32.500 -0.022 0.000 0.724 408 K HN -0.110 nan 8.250 nan 0.000 0.440 409 T N 0.237 114.781 114.554 -0.017 0.000 2.803 409 T HA -0.099 4.339 4.350 0.147 0.000 0.269 409 T C 1.388 176.100 174.700 0.019 0.000 1.052 409 T CA 1.885 63.989 62.100 0.007 0.000 1.136 409 T CB -0.215 68.654 68.868 0.003 0.000 0.864 409 T HN 0.619 nan 8.240 nan 0.000 0.467 410 T N 0.100 114.649 114.554 -0.008 0.000 3.092 410 T HA 0.216 4.655 4.350 0.147 0.000 0.258 410 T C 0.629 175.333 174.700 0.006 0.000 1.031 410 T CA -0.534 61.566 62.100 -0.001 0.000 0.925 410 T CB -0.179 68.661 68.868 -0.046 0.000 1.036 410 T HN 0.583 nan 8.240 nan 0.000 0.544 411 Q N 2.327 122.130 119.800 0.004 0.000 2.361 411 Q HA 0.250 4.679 4.340 0.147 0.000 0.276 411 Q C -2.441 173.575 176.000 0.027 0.000 1.022 411 Q CA -1.786 54.022 55.803 0.008 0.000 0.898 411 Q CB -0.129 28.611 28.738 0.003 0.000 1.246 411 Q HN 0.114 nan 8.270 nan 0.000 0.410 412 P HA -0.004 nan 4.420 nan 0.000 0.267 412 P C -0.502 176.822 177.300 0.041 0.000 1.205 412 P CA -0.109 63.015 63.100 0.041 0.000 0.765 412 P CB 0.825 32.545 31.700 0.033 0.000 0.828 413 V N 2.570 122.517 119.914 0.054 0.000 3.513 413 V HA 0.257 4.465 4.120 0.147 0.000 0.297 413 V C 1.099 177.225 176.094 0.052 0.000 1.058 413 V CA -0.641 61.690 62.300 0.052 0.000 1.003 413 V CB 0.462 32.324 31.823 0.064 0.000 1.236 413 V HN 0.437 nan 8.190 nan 0.000 0.436 414 N N 1.634 120.363 118.700 0.048 0.000 3.124 414 N HA 0.254 5.083 4.740 0.147 0.000 0.284 414 N C -0.663 174.875 175.510 0.047 0.000 1.209 414 N CA 0.262 53.337 53.050 0.040 0.000 1.149 414 N CB 0.006 38.512 38.487 0.031 0.000 1.434 414 N HN 0.781 nan 8.380 nan 0.000 0.529 415 S N 0.870 116.603 115.700 0.054 0.000 2.546 415 S HA 0.323 4.881 4.470 0.147 0.000 0.274 415 S C 1.080 175.682 174.600 0.004 0.000 1.121 415 S CA -0.899 57.342 58.200 0.068 0.000 0.887 415 S CB 0.997 64.294 63.200 0.162 0.000 1.094 415 S HN 0.559 nan 8.310 nan 0.000 0.474 416 R N 1.806 122.225 120.500 -0.134 0.000 2.241 416 R HA -0.069 4.360 4.340 0.147 0.000 0.224 416 R C 0.254 176.370 176.300 -0.306 0.000 1.101 416 R CA 1.672 57.600 56.100 -0.286 0.000 0.995 416 R CB -0.713 29.319 30.300 -0.446 0.000 0.870 416 R HN 0.739 nan 8.270 nan 0.000 0.463 417 Y N 0.747 121.086 120.300 0.065 0.000 2.468 417 Y HA 0.169 4.807 4.550 0.147 0.000 0.268 417 Y C 1.199 177.150 175.900 0.085 0.000 1.177 417 Y CA -0.477 57.671 58.100 0.079 0.000 1.265 417 Y CB 0.075 38.578 38.460 0.071 0.000 1.103 417 Y HN -0.017 nan 8.280 nan 0.000 0.522 418 D N 0.814 121.314 120.400 0.167 0.000 2.149 418 D HA -0.202 4.526 4.640 0.147 0.000 0.194 418 D C 1.324 177.697 176.300 0.121 0.000 1.001 418 D CA 1.457 55.532 54.000 0.125 0.000 0.849 418 D CB -0.159 40.687 40.800 0.077 0.000 0.939 418 D HN 0.298 nan 8.370 nan 0.000 0.449 419 N N 0.050 118.821 118.700 0.119 0.000 2.521 419 N HA -0.014 4.814 4.740 0.147 0.000 0.188 419 N C 1.438 177.046 175.510 0.163 0.000 1.146 419 N CA 0.280 53.398 53.050 0.114 0.000 0.893 419 N CB 0.239 38.783 38.487 0.095 0.000 0.975 419 N HN 0.424 nan 8.380 nan 0.000 0.451 420 Q N -0.307 119.627 119.800 0.224 0.000 2.304 420 Q HA 0.254 4.683 4.340 0.147 0.000 0.204 420 Q C 1.782 177.978 176.000 0.328 0.000 0.936 420 Q CA 0.172 56.169 55.803 0.323 0.000 0.878 420 Q CB 0.366 29.316 28.738 0.354 0.000 0.983 420 Q HN 0.251 nan 8.270 nan 0.000 0.516 421 I N 1.500 122.216 120.570 0.244 0.000 2.248 421 I HA -0.329 3.929 4.170 0.147 0.000 0.248 421 I C 2.366 178.556 176.117 0.122 0.000 1.107 421 I CA 1.132 62.546 61.300 0.189 0.000 1.373 421 I CB -0.317 37.771 38.000 0.148 0.000 1.055 421 I HN 0.182 nan 8.210 nan 0.000 0.418 422 A N -0.043 122.831 122.820 0.091 0.000 1.978 422 A HA -0.154 4.254 4.320 0.147 0.000 0.220 422 A C 2.381 179.941 177.584 -0.040 0.000 1.170 422 A CA 2.007 54.058 52.037 0.024 0.000 0.636 422 A CB -0.661 18.355 19.000 0.027 0.000 0.810 422 A HN 0.293 nan 8.150 nan 0.000 0.448 423 V N -2.513 117.358 119.914 -0.071 0.000 2.492 423 V HA 0.006 4.214 4.120 0.147 0.000 0.241 423 V C 1.970 177.789 176.094 -0.459 0.000 1.041 423 V CA 1.383 63.487 62.300 -0.328 0.000 1.057 423 V CB -0.595 30.896 31.823 -0.553 0.000 0.711 423 V HN 0.554 nan 8.190 nan 0.000 0.468 424 F N 0.422 120.339 119.950 -0.055 0.000 2.656 424 F HA 0.556 5.171 4.527 0.147 0.000 0.291 424 F C 1.379 177.177 175.800 -0.004 0.000 1.122 424 F CA 0.789 58.743 58.000 -0.075 0.000 1.427 424 F CB 0.049 39.071 39.000 0.038 0.000 1.125 424 F HN 0.282 nan 8.300 nan 0.000 0.583 425 G N 0.661 109.570 108.800 0.181 0.000 2.690 425 G HA2 -0.200 3.849 3.960 0.147 0.000 0.686 425 G HA3 -0.200 3.849 3.960 0.147 0.000 0.686 425 G C 0.033 175.045 174.900 0.186 0.000 1.277 425 G CA -0.347 44.847 45.100 0.156 0.000 0.799 425 G HN 0.186 nan 8.290 nan 0.000 0.613 426 L N 0.181 121.488 121.223 0.140 0.000 2.027 426 L HA 0.112 4.540 4.340 0.147 0.000 0.206 426 L C 2.398 179.339 176.870 0.117 0.000 1.074 426 L CA 2.923 57.829 54.840 0.110 0.000 0.745 426 L CB -0.582 41.526 42.059 0.082 0.000 0.898 426 L HN 0.663 nan 8.230 nan 0.000 0.433 427 D N -0.895 119.618 120.400 0.188 0.000 2.149 427 D HA -0.244 4.484 4.640 0.147 0.000 0.198 427 D C 2.017 178.460 176.300 0.238 0.000 0.990 427 D CA 1.474 55.625 54.000 0.252 0.000 0.839 427 D CB -0.217 40.807 40.800 0.374 0.000 0.948 427 D HN 0.412 nan 8.370 nan 0.000 0.460 428 F N 1.271 121.209 119.950 -0.020 0.000 2.206 428 F HA -0.108 4.507 4.527 0.147 0.000 0.298 428 F C 2.403 178.046 175.800 -0.261 0.000 1.090 428 F CA 0.880 58.612 58.000 -0.447 0.000 1.323 428 F CB -0.081 38.548 39.000 -0.619 0.000 1.028 428 F HN -0.214 nan 8.300 nan 0.000 0.492 429 Q N 0.892 120.621 119.800 -0.117 0.000 2.135 429 Q HA -0.206 4.222 4.340 0.147 0.000 0.204 429 Q C 2.093 177.920 176.000 -0.288 0.000 0.981 429 Q CA 1.877 57.555 55.803 -0.208 0.000 0.856 429 Q CB -0.258 28.442 28.738 -0.064 0.000 0.902 429 Q HN 0.342 nan 8.270 nan 0.000 0.425 430 K N -0.563 119.723 120.400 -0.189 0.000 2.288 430 K HA -0.043 4.365 4.320 0.147 0.000 0.201 430 K C 1.835 178.317 176.600 -0.197 0.000 1.048 430 K CA 0.674 56.859 56.287 -0.169 0.000 0.956 430 K CB 0.067 32.524 32.500 -0.072 0.000 0.746 430 K HN 0.041 nan 8.250 nan 0.000 0.461 431 K N 0.813 121.058 120.400 -0.258 0.000 2.155 431 K HA -0.035 4.373 4.320 0.147 0.000 0.203 431 K C 1.821 178.196 176.600 -0.375 0.000 1.052 431 K CA 0.801 56.923 56.287 -0.276 0.000 0.948 431 K CB 0.102 32.426 32.500 -0.294 0.000 0.728 431 K HN 0.057 nan 8.250 nan 0.000 0.448 432 I N 1.055 121.314 120.570 -0.518 0.000 2.179 432 I HA -0.260 3.998 4.170 0.147 0.000 0.242 432 I C 2.375 178.291 176.117 -0.334 0.000 1.088 432 I CA 1.229 62.256 61.300 -0.456 0.000 1.357 432 I CB -0.319 37.392 38.000 -0.481 0.000 1.051 432 I HN 0.176 nan 8.210 nan 0.000 0.409 433 A N 0.423 123.058 122.820 -0.309 0.000 2.024 433 A HA -0.188 4.220 4.320 0.147 0.000 0.220 433 A C 1.724 179.185 177.584 -0.204 0.000 1.164 433 A CA 1.726 53.615 52.037 -0.248 0.000 0.643 433 A CB -0.523 18.332 19.000 -0.242 0.000 0.806 433 A HN 0.468 nan 8.150 nan 0.000 0.451 434 N N 0.187 118.763 118.700 -0.207 0.000 2.251 434 N HA 0.117 4.945 4.740 0.147 0.000 0.217 434 N C -0.566 174.803 175.510 -0.235 0.000 1.124 434 N CA 0.104 53.045 53.050 -0.182 0.000 0.843 434 N CB 0.442 38.850 38.487 -0.132 0.000 1.024 434 N HN 0.219 nan 8.380 nan 0.000 0.501 435 S N 0.957 116.486 115.700 -0.285 0.000 2.562 435 S HA 0.289 4.847 4.470 0.147 0.000 0.275 435 S C 0.242 174.526 174.600 -0.526 0.000 1.281 435 S CA -0.447 57.548 58.200 -0.342 0.000 1.045 435 S CB 1.312 64.345 63.200 -0.279 0.000 0.962 435 S HN 0.095 nan 8.310 nan 0.000 0.503 436 K N 2.138 122.151 120.400 -0.645 0.000 2.265 436 K HA 0.572 4.980 4.320 0.147 0.000 0.267 436 K C -0.725 175.401 176.600 -0.790 0.000 0.994 436 K CA -0.731 54.990 56.287 -0.943 0.000 0.860 436 K CB 1.153 32.952 32.500 -1.168 0.000 1.099 436 K HN 0.424 nan 8.250 nan 0.000 0.448 437 V N -0.231 119.286 119.914 -0.662 0.000 2.876 437 V HA 0.636 4.845 4.120 0.147 0.000 0.312 437 V C -1.260 174.772 176.094 -0.103 0.000 1.085 437 V CA -1.086 60.821 62.300 -0.655 0.000 0.945 437 V CB 1.737 32.947 31.823 -1.021 0.000 1.017 437 V HN 0.664 nan 8.190 nan 0.000 0.428 438 F N 4.823 124.658 119.950 -0.192 0.000 2.460 438 F HA 0.675 5.291 4.527 0.147 0.000 0.341 438 F C -0.827 175.050 175.800 0.129 0.000 1.130 438 F CA -1.797 56.197 58.000 -0.009 0.000 0.962 438 F CB 1.448 40.377 39.000 -0.118 0.000 1.171 438 F HN 0.701 nan 8.300 nan 0.000 0.436 439 L N 7.074 128.375 121.223 0.129 0.000 2.289 439 L HA 0.549 4.977 4.340 0.147 0.000 0.285 439 L C -1.126 175.498 176.870 -0.409 0.000 1.049 439 L CA -0.737 54.070 54.840 -0.054 0.000 0.804 439 L CB 1.514 43.606 42.059 0.055 0.000 1.195 439 L HN 0.363 nan 8.230 nan 0.000 0.428 440 V N 3.818 123.469 119.914 -0.438 0.000 2.313 440 V HA 0.778 4.986 4.120 0.147 0.000 0.278 440 V C 0.299 176.284 176.094 -0.182 0.000 1.017 440 V CA -0.252 61.798 62.300 -0.416 0.000 0.823 440 V CB 0.696 32.254 31.823 -0.441 0.000 1.010 440 V HN 1.038 nan 8.190 nan 0.000 0.443 441 G N 3.466 112.201 108.800 -0.108 0.000 2.674 441 G HA2 0.057 4.105 3.960 0.147 0.000 0.686 441 G HA3 0.057 4.105 3.960 0.147 0.000 0.686 441 G C -0.097 174.782 174.900 -0.035 0.000 1.195 441 G CA -0.070 44.999 45.100 -0.050 0.000 0.776 441 G HN 0.865 nan 8.290 nan 0.000 0.654 442 S N 0.403 116.110 115.700 0.011 0.000 2.937 442 S HA 0.518 5.076 4.470 0.147 0.000 0.252 442 S C 1.490 176.156 174.600 0.110 0.000 1.022 442 S CA 1.163 59.391 58.200 0.048 0.000 1.079 442 S CB -0.489 62.767 63.200 0.093 0.000 1.035 442 S HN 1.710 nan 8.310 nan 0.000 0.594 443 G N 1.384 110.228 108.800 0.073 0.000 3.022 443 G HA2 0.495 4.544 3.960 0.147 0.000 0.157 443 G HA3 0.495 4.544 3.960 0.147 0.000 0.157 443 G C 1.387 176.304 174.900 0.029 0.000 1.691 443 G CA 0.318 45.481 45.100 0.105 0.000 1.079 443 G HN 0.457 nan 8.290 nan 0.000 0.549 444 A N -0.338 122.500 122.820 0.029 0.000 1.849 444 A HA -0.071 4.337 4.320 0.147 0.000 0.217 444 A C 2.474 180.040 177.584 -0.030 0.000 1.202 444 A CA 1.933 53.974 52.037 0.006 0.000 0.629 444 A CB -0.714 18.305 19.000 0.031 0.000 0.834 444 A HN 0.459 nan 8.150 nan 0.000 0.447 445 I N -0.468 120.082 120.570 -0.033 0.000 2.179 445 I HA -0.196 4.063 4.170 0.147 0.000 0.242 445 I C 2.753 178.795 176.117 -0.125 0.000 1.088 445 I CA 1.013 62.274 61.300 -0.066 0.000 1.357 445 I CB -0.832 37.137 38.000 -0.052 0.000 1.051 445 I HN 0.441 nan 8.210 nan 0.000 0.409 446 G N 0.542 109.271 108.800 -0.118 0.000 2.599 446 G HA2 -0.333 3.715 3.960 0.147 0.000 0.219 446 G HA3 -0.333 3.715 3.960 0.147 0.000 0.219 446 G C 1.714 176.489 174.900 -0.208 0.000 1.193 446 G CA 1.363 46.368 45.100 -0.159 0.000 0.778 446 G HN 0.429 nan 8.290 nan 0.000 0.589 447 C N 0.066 119.246 119.300 -0.200 0.000 2.393 447 C HA -0.026 4.522 4.460 0.147 0.000 0.276 447 C C 2.846 177.712 174.990 -0.206 0.000 1.215 447 C CA 1.083 59.921 59.018 -0.300 0.000 1.743 447 C CB -0.778 26.688 27.740 -0.456 0.000 2.044 447 C HN 0.475 nan 8.230 nan 0.000 0.464 448 E N 0.139 120.273 120.200 -0.110 0.000 2.085 448 E HA -0.227 4.212 4.350 0.147 0.000 0.194 448 E C 1.957 178.444 176.600 -0.188 0.000 0.994 448 E CA 1.305 57.662 56.400 -0.070 0.000 0.801 448 E CB -0.536 29.123 29.700 -0.068 0.000 0.743 448 E HN 0.644 nan 8.360 nan 0.000 0.453 449 M N 0.068 119.479 119.600 -0.315 0.000 2.086 449 M HA -0.148 4.421 4.480 0.147 0.000 0.261 449 M C 1.952 177.805 176.300 -0.746 0.000 1.067 449 M CA 0.927 55.863 55.300 -0.606 0.000 1.116 449 M CB -0.187 31.938 32.600 -0.791 0.000 1.348 449 M HN 0.048 nan 8.290 nan 0.000 0.407 450 L N 0.360 121.285 121.223 -0.497 0.000 2.046 450 L HA -0.217 4.211 4.340 0.147 0.000 0.208 450 L C 2.377 179.188 176.870 -0.098 0.000 1.077 450 L CA 1.814 56.494 54.840 -0.266 0.000 0.747 450 L CB -1.280 40.672 42.059 -0.178 0.000 0.896 450 L HN 0.360 nan 8.230 nan 0.000 0.432 451 K N -0.243 120.084 120.400 -0.122 0.000 2.032 451 K HA -0.206 4.202 4.320 0.147 0.000 0.209 451 K C 1.851 178.472 176.600 0.034 0.000 1.048 451 K CA 1.546 57.808 56.287 -0.041 0.000 0.927 451 K CB -0.237 32.234 32.500 -0.049 0.000 0.712 451 K HN 0.424 nan 8.250 nan 0.000 0.441 452 N N -0.206 118.490 118.700 -0.007 0.000 2.120 452 N HA -0.164 4.664 4.740 0.147 0.000 0.188 452 N C 1.699 177.381 175.510 0.287 0.000 1.024 452 N CA 1.227 54.340 53.050 0.106 0.000 0.852 452 N CB -0.194 38.328 38.487 0.058 0.000 1.003 452 N HN 0.314 nan 8.380 nan 0.000 0.424 453 W N 1.425 122.743 121.300 0.031 0.000 2.388 453 W HA 0.136 4.885 4.660 0.147 0.000 0.294 453 W C 2.503 179.058 176.519 0.061 0.000 1.212 453 W CA 0.268 57.630 57.345 0.029 0.000 1.271 453 W CB -1.136 28.336 29.460 0.020 0.000 1.126 453 W HN 0.045 nan 8.180 nan 0.000 0.535 454 A N 0.019 123.019 122.820 0.299 0.000 1.898 454 A HA -0.134 4.274 4.320 0.147 0.000 0.216 454 A C 2.136 179.863 177.584 0.239 0.000 1.181 454 A CA 1.399 53.572 52.037 0.227 0.000 0.620 454 A CB -0.972 18.128 19.000 0.166 0.000 0.819 454 A HN 0.213 nan 8.150 nan 0.000 0.442 455 L N -1.204 120.157 121.223 0.231 0.000 2.093 455 L HA -0.141 4.287 4.340 0.147 0.000 0.208 455 L C 2.370 179.421 176.870 0.301 0.000 1.085 455 L CA 0.670 55.648 54.840 0.230 0.000 0.755 455 L CB -0.376 41.813 42.059 0.217 0.000 0.904 455 L HN 0.314 nan 8.230 nan 0.000 0.435 456 L N 0.017 121.405 121.223 0.275 0.000 2.291 456 L HA 0.015 4.443 4.340 0.147 0.000 0.214 456 L C 1.672 178.647 176.870 0.176 0.000 1.120 456 L CA 1.507 56.477 54.840 0.215 0.000 0.799 456 L CB -1.004 41.120 42.059 0.108 0.000 0.925 456 L HN 0.419 nan 8.230 nan 0.000 0.446 457 G N -0.399 108.562 108.800 0.269 0.000 2.153 457 G HA2 -0.321 3.727 3.960 0.147 0.000 0.252 457 G HA3 -0.321 3.727 3.960 0.147 0.000 0.252 457 G C 0.437 175.299 174.900 -0.062 0.000 0.994 457 G CA 0.472 45.653 45.100 0.136 0.000 0.698 457 G HN 0.385 nan 8.290 nan 0.000 0.521 458 L N -0.126 121.055 121.223 -0.070 0.000 2.462 458 L HA 0.493 4.921 4.340 0.147 0.000 0.272 458 L C 1.612 178.382 176.870 -0.166 0.000 1.166 458 L CA 1.554 56.270 54.840 -0.206 0.000 0.880 458 L CB 0.414 42.250 42.059 -0.372 0.000 1.142 458 L HN 1.415 nan 8.230 nan 0.000 0.473 459 G N 2.140 110.816 108.800 -0.206 0.000 2.205 459 G HA2 -0.377 3.672 3.960 0.147 0.000 0.261 459 G HA3 -0.377 3.672 3.960 0.147 0.000 0.261 459 G C 0.977 175.844 174.900 -0.055 0.000 0.980 459 G CA 0.771 45.785 45.100 -0.145 0.000 0.632 459 G HN 1.008 nan 8.290 nan 0.000 0.533 460 S N 0.184 115.855 115.700 -0.049 0.000 2.481 460 S HA 0.410 4.969 4.470 0.147 0.000 0.231 460 S C 1.592 176.179 174.600 -0.022 0.000 0.996 460 S CA 1.169 59.367 58.200 -0.004 0.000 0.942 460 S CB -0.042 63.174 63.200 0.027 0.000 0.768 460 S HN 1.684 nan 8.310 nan 0.000 0.520 461 G N 1.203 109.963 108.800 -0.067 0.000 2.572 461 G HA2 0.381 4.430 3.960 0.147 0.000 0.261 461 G HA3 0.381 4.430 3.960 0.147 0.000 0.261 461 G C 0.826 175.707 174.900 -0.032 0.000 1.197 461 G CA -0.035 45.029 45.100 -0.061 0.000 0.870 461 G HN 0.429 nan 8.290 nan 0.000 0.548 462 S N -0.871 114.818 115.700 -0.019 0.000 2.447 462 S HA -0.067 4.491 4.470 0.147 0.000 0.233 462 S C 0.999 175.601 174.600 0.003 0.000 1.006 462 S CA 1.397 59.597 58.200 0.001 0.000 0.957 462 S CB 0.126 63.328 63.200 0.004 0.000 0.773 462 S HN 0.485 nan 8.310 nan 0.000 0.507 463 D N 1.341 121.726 120.400 -0.026 0.000 2.363 463 D HA 0.301 5.029 4.640 0.147 0.000 0.214 463 D C 0.700 176.941 176.300 -0.097 0.000 1.093 463 D CA 0.229 54.207 54.000 -0.036 0.000 0.837 463 D CB 0.644 41.416 40.800 -0.046 0.000 0.948 463 D HN 0.532 nan 8.370 nan 0.000 0.507 464 G N 0.289 109.026 108.800 -0.105 0.000 2.568 464 G HA2 0.573 4.621 3.960 0.147 0.000 0.313 464 G HA3 0.573 4.621 3.960 0.147 0.000 0.313 464 G C -1.253 173.586 174.900 -0.101 0.000 1.227 464 G CA -0.606 44.356 45.100 -0.231 0.000 0.979 464 G HN 0.063 nan 8.290 nan 0.000 0.486 465 Y N -2.150 118.076 120.300 -0.124 0.000 2.732 465 Y HA 0.668 5.306 4.550 0.147 0.000 0.342 465 Y C -1.553 174.287 175.900 -0.100 0.000 1.203 465 Y CA -1.923 56.126 58.100 -0.086 0.000 1.092 465 Y CB 0.657 39.081 38.460 -0.061 0.000 1.345 465 Y HN 0.539 nan 8.280 nan 0.000 0.458 466 I N 2.363 123.100 120.570 0.278 0.000 2.465 466 I HA 0.630 4.888 4.170 0.147 0.000 0.291 466 I C -0.989 175.310 176.117 0.304 0.000 1.014 466 I CA -1.274 60.174 61.300 0.246 0.000 1.093 466 I CB 2.024 40.171 38.000 0.244 0.000 1.267 466 I HN 0.482 nan 8.210 nan 0.000 0.431 467 V N 6.731 126.857 119.914 0.353 0.000 2.483 467 V HA 0.514 4.722 4.120 0.147 0.000 0.295 467 V C -0.245 176.106 176.094 0.429 0.000 1.035 467 V CA -0.626 61.894 62.300 0.366 0.000 0.896 467 V CB 2.071 34.146 31.823 0.419 0.000 0.986 467 V HN 0.442 nan 8.190 nan 0.000 0.447 468 V N 2.912 123.017 119.914 0.318 0.000 2.531 468 V HA 0.594 4.802 4.120 0.147 0.000 0.301 468 V C -0.167 176.061 176.094 0.225 0.000 1.034 468 V CA -0.410 62.031 62.300 0.234 0.000 0.865 468 V CB 1.806 33.716 31.823 0.146 0.000 0.995 468 V HN 0.854 nan 8.190 nan 0.000 0.424 469 T N 2.971 117.639 114.554 0.191 0.000 2.841 469 T HA 0.647 5.085 4.350 0.147 0.000 0.283 469 T C -1.700 173.052 174.700 0.085 0.000 1.000 469 T CA -0.247 61.965 62.100 0.188 0.000 0.977 469 T CB 1.285 70.346 68.868 0.322 0.000 0.979 469 T HN 0.933 nan 8.240 nan 0.000 0.446 470 D N 2.202 122.653 120.400 0.085 0.000 2.812 470 D HA 0.155 4.883 4.640 0.147 0.000 0.210 470 D C -0.077 176.249 176.300 0.042 0.000 1.260 470 D CA -0.415 53.614 54.000 0.050 0.000 0.817 470 D CB 1.336 42.157 40.800 0.035 0.000 1.694 470 D HN 0.563 nan 8.370 nan 0.000 0.530 471 N N 1.673 120.393 118.700 0.034 0.000 2.236 471 N HA 0.001 4.829 4.740 0.147 0.000 0.196 471 N C -0.542 174.968 175.510 -0.001 0.000 1.114 471 N CA -0.103 52.960 53.050 0.020 0.000 0.859 471 N CB 0.417 38.921 38.487 0.028 0.000 0.982 471 N HN 0.197 nan 8.380 nan 0.000 0.493 472 D N 1.186 121.582 120.400 -0.005 0.000 2.341 472 D HA 0.086 4.814 4.640 0.147 0.000 0.245 472 D C 0.370 176.635 176.300 -0.058 0.000 1.106 472 D CA 0.065 54.052 54.000 -0.022 0.000 0.905 472 D CB 1.625 42.418 40.800 -0.012 0.000 1.202 472 D HN 0.353 nan 8.370 nan 0.000 0.426 473 S N 0.640 116.297 115.700 -0.071 0.000 2.687 473 S HA 0.511 5.069 4.470 0.147 0.000 0.283 473 S C 0.289 174.797 174.600 -0.154 0.000 1.170 473 S CA -0.920 57.210 58.200 -0.117 0.000 1.008 473 S CB 0.777 63.923 63.200 -0.089 0.000 1.026 473 S HN 0.344 nan 8.310 nan 0.000 0.541 474 I N 1.877 122.302 120.570 -0.243 0.000 2.533 474 I HA 0.179 4.437 4.170 0.147 0.000 0.284 474 I C 0.592 176.629 176.117 -0.134 0.000 1.109 474 I CA 0.275 61.404 61.300 -0.285 0.000 1.412 474 I CB 0.231 37.941 38.000 -0.484 0.000 1.396 474 I HN 0.683 nan 8.210 nan 0.000 0.543 475 E N 5.770 125.929 120.200 -0.068 0.000 2.212 475 E HA 0.234 4.672 4.350 0.147 0.000 0.270 475 E C 0.462 177.062 176.600 -0.000 0.000 0.956 475 E CA -0.906 55.477 56.400 -0.029 0.000 0.825 475 E CB 1.938 31.632 29.700 -0.010 0.000 1.167 475 E HN 0.396 nan 8.360 nan 0.000 0.400 476 K N 1.052 121.449 120.400 -0.005 0.000 2.074 476 K HA -0.162 4.246 4.320 0.147 0.000 0.209 476 K C 1.695 178.305 176.600 0.017 0.000 1.048 476 K CA 1.847 58.136 56.287 0.003 0.000 0.926 476 K CB -0.214 32.280 32.500 -0.011 0.000 0.713 476 K HN 0.527 nan 8.250 nan 0.000 0.444 477 S N 0.253 115.967 115.700 0.023 0.000 2.500 477 S HA -0.100 4.458 4.470 0.147 0.000 0.239 477 S C 1.325 175.966 174.600 0.067 0.000 0.989 477 S CA 1.293 59.519 58.200 0.042 0.000 0.951 477 S CB -0.437 62.797 63.200 0.056 0.000 0.759 477 S HN 0.414 nan 8.310 nan 0.000 0.523 478 N N 1.229 119.977 118.700 0.080 0.000 2.395 478 N HA 0.244 5.073 4.740 0.147 0.000 0.175 478 N C 1.424 177.016 175.510 0.136 0.000 1.029 478 N CA 0.432 53.556 53.050 0.123 0.000 0.897 478 N CB -0.268 38.321 38.487 0.169 0.000 0.991 478 N HN 0.274 nan 8.380 nan 0.000 0.441 479 L N 1.295 122.588 121.223 0.117 0.000 2.127 479 L HA -0.210 4.218 4.340 0.147 0.000 0.211 479 L C 2.231 179.154 176.870 0.089 0.000 1.089 479 L CA 0.923 55.830 54.840 0.112 0.000 0.757 479 L CB -0.628 41.476 42.059 0.075 0.000 0.899 479 L HN 0.394 nan 8.230 nan 0.000 0.434 480 N N 1.272 120.012 118.700 0.067 0.000 2.348 480 N HA -0.211 4.617 4.740 0.147 0.000 0.185 480 N C 1.645 177.222 175.510 0.111 0.000 1.019 480 N CA 1.396 54.497 53.050 0.084 0.000 0.880 480 N CB 0.244 38.783 38.487 0.087 0.000 0.965 480 N HN 0.523 nan 8.380 nan 0.000 0.437 481 R N -0.848 119.714 120.500 0.102 0.000 2.539 481 R HA 0.188 4.616 4.340 0.147 0.000 0.342 481 R C -0.322 176.023 176.300 0.075 0.000 0.941 481 R CA -0.260 55.895 56.100 0.092 0.000 1.146 481 R CB -0.010 30.340 30.300 0.084 0.000 1.541 481 R HN 0.022 nan 8.270 nan 0.000 0.525 482 Q N 1.613 121.440 119.800 0.045 0.000 2.706 482 Q HA 0.200 4.628 4.340 0.147 0.000 0.250 482 Q C -0.117 175.714 176.000 -0.281 0.000 1.120 482 Q CA -0.563 55.164 55.803 -0.128 0.000 0.972 482 Q CB 0.662 29.364 28.738 -0.059 0.000 1.173 482 Q HN 0.435 nan 8.270 nan 0.000 0.522 483 F N -0.901 118.891 119.950 -0.264 0.000 2.546 483 F HA -0.026 4.589 4.527 0.147 0.000 0.298 483 F C 0.629 176.303 175.800 -0.211 0.000 1.120 483 F CA 0.664 58.561 58.000 -0.171 0.000 1.456 483 F CB 0.001 38.927 39.000 -0.123 0.000 1.088 483 F HN 0.281 nan 8.300 nan 0.000 0.572 484 L N -0.275 120.220 121.223 -1.213 0.000 2.552 484 L HA 0.087 4.515 4.340 0.147 0.000 0.227 484 L C -0.061 176.523 176.870 -0.478 0.000 1.146 484 L CA 0.149 54.402 54.840 -0.979 0.000 0.858 484 L CB -0.564 40.891 42.059 -1.006 0.000 0.969 484 L HN 0.106 nan 8.230 nan 0.000 0.451 485 F N -1.077 118.791 119.950 -0.136 0.000 2.470 485 F HA 0.584 5.199 4.527 0.147 0.000 0.329 485 F C 0.453 176.242 175.800 -0.019 0.000 1.072 485 F CA -1.190 56.772 58.000 -0.063 0.000 0.989 485 F CB 1.191 40.161 39.000 -0.051 0.000 1.193 485 F HN -0.291 nan 8.300 nan 0.000 0.481 486 R N 1.181 121.795 120.500 0.191 0.000 2.854 486 R HA 0.418 4.846 4.340 0.147 0.000 0.271 486 R C -2.008 174.332 176.300 0.066 0.000 0.996 486 R CA -1.910 54.250 56.100 0.100 0.000 0.961 486 R CB 1.253 31.594 30.300 0.068 0.000 1.182 486 R HN 0.158 nan 8.270 nan 0.000 0.479 487 P HA -0.252 nan 4.420 nan 0.000 0.218 487 P C 0.004 177.304 177.300 -0.001 0.000 1.152 487 P CA 1.710 64.814 63.100 0.007 0.000 0.857 487 P CB 0.235 31.927 31.700 -0.013 0.000 0.787 488 K N -1.705 118.696 120.400 0.003 0.000 2.486 488 K HA -0.003 4.405 4.320 0.147 0.000 0.194 488 K C 1.021 177.614 176.600 -0.012 0.000 1.033 488 K CA 1.137 57.420 56.287 -0.006 0.000 1.004 488 K CB -0.700 31.798 32.500 -0.004 0.000 0.798 488 K HN 0.066 nan 8.250 nan 0.000 0.495 489 D N 0.827 121.222 120.400 -0.008 0.000 2.350 489 D HA 0.013 4.741 4.640 0.147 0.000 0.213 489 D C -0.176 176.070 176.300 -0.091 0.000 1.031 489 D CA 0.070 54.046 54.000 -0.041 0.000 0.861 489 D CB 0.195 40.986 40.800 -0.015 0.000 0.926 489 D HN -0.020 nan 8.370 nan 0.000 0.520 490 V N 0.699 120.575 119.914 -0.063 0.000 2.557 490 V HA 0.283 4.491 4.120 0.147 0.000 0.301 490 V C 1.728 177.776 176.094 -0.077 0.000 1.026 490 V CA 1.365 63.621 62.300 -0.074 0.000 1.137 490 V CB 0.590 32.387 31.823 -0.043 0.000 0.917 490 V HN 0.501 nan 8.190 nan 0.000 0.484 491 G N 4.242 112.986 108.800 -0.094 0.000 2.308 491 G HA2 -0.207 3.841 3.960 0.147 0.000 0.221 491 G HA3 -0.207 3.841 3.960 0.147 0.000 0.221 491 G C 0.337 175.181 174.900 -0.094 0.000 1.032 491 G CA 0.070 45.123 45.100 -0.079 0.000 0.623 491 G HN 0.602 nan 8.290 nan 0.000 0.506 492 K N 1.119 121.448 120.400 -0.118 0.000 2.138 492 K HA 0.347 4.755 4.320 0.147 0.000 0.251 492 K C 0.136 176.636 176.600 -0.166 0.000 1.015 492 K CA -0.596 55.618 56.287 -0.123 0.000 0.917 492 K CB 0.258 32.687 32.500 -0.118 0.000 1.021 492 K HN 0.204 nan 8.250 nan 0.000 0.485 493 N N 2.178 120.801 118.700 -0.128 0.000 2.492 493 N HA -0.031 4.797 4.740 0.147 0.000 0.262 493 N C 0.711 176.106 175.510 -0.191 0.000 1.202 493 N CA 0.293 53.267 53.050 -0.126 0.000 0.926 493 N CB 0.900 39.348 38.487 -0.065 0.000 1.078 493 N HN 0.422 nan 8.380 nan 0.000 0.454 494 K N 0.911 121.186 120.400 -0.209 0.000 2.057 494 K HA -0.131 4.277 4.320 0.147 0.000 0.207 494 K C 1.910 178.507 176.600 -0.005 0.000 1.049 494 K CA 1.522 57.654 56.287 -0.259 0.000 0.931 494 K CB -0.027 32.406 32.500 -0.112 0.000 0.714 494 K HN 0.608 nan 8.250 nan 0.000 0.440 495 S N 1.120 116.834 115.700 0.023 0.000 2.371 495 S HA -0.128 4.430 4.470 0.147 0.000 0.224 495 S C 1.856 176.497 174.600 0.069 0.000 1.029 495 S CA 0.911 59.153 58.200 0.071 0.000 0.978 495 S CB -0.259 62.981 63.200 0.067 0.000 0.833 495 S HN 0.291 nan 8.310 nan 0.000 0.466 496 E N 0.904 121.123 120.200 0.032 0.000 2.110 496 E HA -0.054 4.384 4.350 0.147 0.000 0.193 496 E C 2.087 178.715 176.600 0.046 0.000 0.988 496 E CA 1.258 57.677 56.400 0.031 0.000 0.804 496 E CB -0.303 29.400 29.700 0.005 0.000 0.745 496 E HN 0.405 nan 8.360 nan 0.000 0.458 497 V N 1.036 120.977 119.914 0.045 0.000 2.548 497 V HA -0.167 4.041 4.120 0.147 0.000 0.249 497 V C 2.189 178.397 176.094 0.190 0.000 1.055 497 V CA 1.553 63.910 62.300 0.094 0.000 1.065 497 V CB -0.429 31.413 31.823 0.031 0.000 0.681 497 V HN 0.293 nan 8.190 nan 0.000 0.462 498 A N 0.249 123.222 122.820 0.255 0.000 1.897 498 A HA -0.026 4.382 4.320 0.147 0.000 0.215 498 A C 2.443 180.057 177.584 0.051 0.000 1.181 498 A CA 1.798 53.925 52.037 0.150 0.000 0.620 498 A CB -0.748 18.344 19.000 0.152 0.000 0.821 498 A HN 0.520 nan 8.150 nan 0.000 0.443 499 A N -0.149 122.714 122.820 0.071 0.000 1.908 499 A HA -0.200 4.209 4.320 0.147 0.000 0.218 499 A C 1.960 179.578 177.584 0.057 0.000 1.181 499 A CA 1.694 53.770 52.037 0.065 0.000 0.627 499 A CB -0.541 18.503 19.000 0.073 0.000 0.818 499 A HN 0.606 nan 8.150 nan 0.000 0.445 500 E N -0.487 119.747 120.200 0.056 0.000 2.106 500 E HA -0.095 4.343 4.350 0.147 0.000 0.192 500 E C 2.307 178.935 176.600 0.047 0.000 0.984 500 E CA 0.873 57.303 56.400 0.050 0.000 0.806 500 E CB -0.248 29.480 29.700 0.046 0.000 0.750 500 E HN 0.617 nan 8.360 nan 0.000 0.458 501 A N 0.873 123.715 122.820 0.037 0.000 1.969 501 A HA -0.095 4.314 4.320 0.147 0.000 0.218 501 A C 2.381 179.978 177.584 0.021 0.000 1.169 501 A CA 0.869 52.916 52.037 0.017 0.000 0.635 501 A CB -0.333 18.640 19.000 -0.045 0.000 0.810 501 A HN 0.122 nan 8.150 nan 0.000 0.445 502 V N -1.524 118.399 119.914 0.015 0.000 2.788 502 V HA -0.178 4.030 4.120 0.147 0.000 0.251 502 V C 2.357 178.496 176.094 0.074 0.000 1.068 502 V CA 1.506 63.827 62.300 0.035 0.000 1.090 502 V CB -0.406 31.431 31.823 0.024 0.000 0.710 502 V HN 0.703 nan 8.190 nan 0.000 0.467 503 C N -0.061 119.282 119.300 0.070 0.000 2.432 503 C HA 0.008 4.556 4.460 0.147 0.000 0.280 503 C C 2.884 177.920 174.990 0.076 0.000 1.353 503 C CA 0.814 59.878 59.018 0.075 0.000 1.766 503 C CB -1.061 26.718 27.740 0.065 0.000 1.924 503 C HN 0.639 nan 8.230 nan 0.000 0.509 504 A N -0.027 122.839 122.820 0.077 0.000 1.930 504 A HA -0.043 4.366 4.320 0.147 0.000 0.215 504 A C 2.096 179.743 177.584 0.105 0.000 1.176 504 A CA 1.197 53.284 52.037 0.083 0.000 0.632 504 A CB -0.408 18.642 19.000 0.083 0.000 0.819 504 A HN 0.566 nan 8.150 nan 0.000 0.445 505 M N -0.845 118.832 119.600 0.128 0.000 2.099 505 M HA -0.041 4.527 4.480 0.147 0.000 0.262 505 M C 0.491 176.864 176.300 0.121 0.000 1.067 505 M CA 0.989 56.383 55.300 0.158 0.000 1.124 505 M CB -0.177 32.536 32.600 0.187 0.000 1.353 505 M HN 0.313 nan 8.290 nan 0.000 0.410 506 N N -0.022 118.745 118.700 0.111 0.000 2.623 506 N HA 0.235 5.063 4.740 0.147 0.000 0.256 506 N C -2.313 173.254 175.510 0.096 0.000 1.045 506 N CA -1.904 51.207 53.050 0.101 0.000 0.863 506 N CB 1.289 39.853 38.487 0.129 0.000 1.182 506 N HN -0.226 nan 8.380 nan 0.000 0.523 507 P HA -0.122 nan 4.420 nan 0.000 0.219 507 P C 0.280 177.629 177.300 0.081 0.000 1.144 507 P CA 1.144 64.287 63.100 0.072 0.000 0.806 507 P CB 0.413 32.148 31.700 0.058 0.000 0.771 508 D N -1.396 119.067 120.400 0.105 0.000 2.310 508 D HA -0.054 4.674 4.640 0.147 0.000 0.212 508 D C 1.565 177.927 176.300 0.103 0.000 0.965 508 D CA 0.798 54.869 54.000 0.119 0.000 0.879 508 D CB -0.423 40.490 40.800 0.188 0.000 0.921 508 D HN 0.266 nan 8.370 nan 0.000 0.510 509 L N 0.045 121.330 121.223 0.104 0.000 2.592 509 L HA 0.076 4.504 4.340 0.147 0.000 0.227 509 L C 0.663 177.581 176.870 0.080 0.000 1.127 509 L CA 0.015 54.913 54.840 0.096 0.000 0.884 509 L CB 0.130 42.257 42.059 0.113 0.000 1.065 509 L HN -0.269 nan 8.230 nan 0.000 0.457 510 K N 0.836 121.279 120.400 0.070 0.000 2.453 510 K HA 0.122 4.530 4.320 0.147 0.000 0.280 510 K C 1.194 177.825 176.600 0.051 0.000 1.045 510 K CA 0.805 57.126 56.287 0.057 0.000 1.059 510 K CB 0.210 32.741 32.500 0.050 0.000 0.901 510 K HN 0.264 nan 8.250 nan 0.000 0.475 511 G N 2.888 111.715 108.800 0.046 0.000 2.184 511 G HA2 -0.271 3.777 3.960 0.147 0.000 0.264 511 G HA3 -0.271 3.777 3.960 0.147 0.000 0.264 511 G C 0.593 175.519 174.900 0.044 0.000 0.975 511 G CA 0.184 45.306 45.100 0.037 0.000 0.642 511 G HN 0.553 nan 8.290 nan 0.000 0.536 512 K N -0.334 120.104 120.400 0.063 0.000 2.358 512 K HA 0.430 4.838 4.320 0.147 0.000 0.200 512 K C 0.793 177.459 176.600 0.110 0.000 1.030 512 K CA 0.102 56.441 56.287 0.086 0.000 1.097 512 K CB 0.889 33.440 32.500 0.085 0.000 0.862 512 K HN 0.515 nan 8.250 nan 0.000 0.534 513 I N 2.186 122.812 120.570 0.094 0.000 2.382 513 I HA 0.158 4.416 4.170 0.147 0.000 0.285 513 I C -0.370 175.796 176.117 0.082 0.000 1.007 513 I CA -0.905 60.462 61.300 0.112 0.000 1.142 513 I CB 1.288 39.361 38.000 0.121 0.000 1.289 513 I HN -0.145 nan 8.210 nan 0.000 0.453 514 N N 5.898 124.645 118.700 0.079 0.000 2.437 514 N HA 0.368 5.196 4.740 0.147 0.000 0.243 514 N C -0.555 175.013 175.510 0.096 0.000 1.041 514 N CA -0.211 52.871 53.050 0.053 0.000 0.940 514 N CB 1.286 39.773 38.487 0.001 0.000 1.133 514 N HN 0.679 nan 8.380 nan 0.000 0.506 515 A N 4.296 127.163 122.820 0.078 0.000 2.294 515 A HA 0.360 4.768 4.320 0.147 0.000 0.316 515 A C 0.233 177.861 177.584 0.073 0.000 1.359 515 A CA -0.504 51.586 52.037 0.088 0.000 0.956 515 A CB 0.180 19.223 19.000 0.071 0.000 1.155 515 A HN 0.644 nan 8.150 nan 0.000 0.544 516 K N 1.347 121.812 120.400 0.108 0.000 2.132 516 K HA 0.582 4.990 4.320 0.147 0.000 0.241 516 K C -0.027 176.628 176.600 0.092 0.000 1.000 516 K CA -0.571 55.771 56.287 0.092 0.000 0.911 516 K CB 1.559 34.149 32.500 0.151 0.000 1.093 516 K HN 0.723 nan 8.250 nan 0.000 0.460 517 I N -1.705 118.903 120.570 0.063 0.000 3.326 517 I HA 0.294 4.552 4.170 0.147 0.000 0.336 517 I C -1.286 174.869 176.117 0.064 0.000 1.543 517 I CA -0.688 60.644 61.300 0.053 0.000 1.013 517 I CB 0.486 38.495 38.000 0.015 0.000 1.468 517 I HN 0.274 nan 8.210 nan 0.000 0.515 518 D N 1.459 121.937 120.400 0.130 0.000 2.248 518 D HA 0.404 5.132 4.640 0.147 0.000 0.246 518 D C -0.582 175.846 176.300 0.214 0.000 1.027 518 D CA -0.624 53.467 54.000 0.152 0.000 0.853 518 D CB 1.390 42.272 40.800 0.136 0.000 1.243 518 D HN 0.109 nan 8.370 nan 0.000 0.462 519 K N 0.410 120.897 120.400 0.146 0.000 2.469 519 K HA 0.224 4.632 4.320 0.147 0.000 0.274 519 K C -0.632 176.101 176.600 0.221 0.000 0.983 519 K CA -0.190 56.172 56.287 0.124 0.000 0.974 519 K CB 0.620 33.153 32.500 0.055 0.000 0.913 519 K HN 0.177 nan 8.250 nan 0.000 0.493 520 V N 2.525 122.535 119.914 0.160 0.000 2.364 520 V HA 0.564 4.772 4.120 0.147 0.000 0.272 520 V C 0.556 176.663 176.094 0.021 0.000 1.036 520 V CA -0.110 62.327 62.300 0.229 0.000 0.880 520 V CB 0.795 32.752 31.823 0.223 0.000 0.991 520 V HN 1.001 nan 8.190 nan 0.000 0.460 521 G N 5.511 114.213 108.800 -0.163 0.000 2.441 521 G HA2 0.430 4.478 3.960 0.147 0.000 0.294 521 G HA3 0.430 4.478 3.960 0.147 0.000 0.294 521 G C -2.660 171.916 174.900 -0.541 0.000 1.393 521 G CA -0.380 44.194 45.100 -0.876 0.000 0.796 521 G HN 0.332 nan 8.290 nan 0.000 0.494 522 P HA -0.045 nan 4.420 nan 0.000 0.221 522 P C 0.728 178.051 177.300 0.039 0.000 1.145 522 P CA 1.158 64.242 63.100 -0.028 0.000 0.795 522 P CB 0.412 32.107 31.700 -0.008 0.000 0.775 523 E N -0.737 119.458 120.200 -0.010 0.000 2.419 523 E HA 0.055 4.494 4.350 0.147 0.000 0.190 523 E C 0.520 177.146 176.600 0.044 0.000 1.040 523 E CA 0.215 56.628 56.400 0.021 0.000 0.900 523 E CB -0.049 29.649 29.700 -0.003 0.000 1.054 523 E HN 0.292 nan 8.360 nan 0.000 0.462 524 T N -4.211 110.406 114.554 0.106 0.000 3.275 524 T HA 0.188 4.626 4.350 0.147 0.000 0.298 524 T C 0.987 175.812 174.700 0.210 0.000 0.988 524 T CA -0.420 61.757 62.100 0.129 0.000 0.936 524 T CB 0.199 69.188 68.868 0.202 0.000 1.159 524 T HN -0.053 nan 8.240 nan 0.000 0.519 525 E N 1.529 121.886 120.200 0.261 0.000 2.204 525 E HA -0.141 4.298 4.350 0.147 0.000 0.195 525 E C 2.022 178.771 176.600 0.249 0.000 0.990 525 E CA 0.930 57.530 56.400 0.333 0.000 0.821 525 E CB 0.011 29.903 29.700 0.320 0.000 0.750 525 E HN 0.642 nan 8.360 nan 0.000 0.477 526 E N 0.921 121.211 120.200 0.150 0.000 2.070 526 E HA -0.235 4.204 4.350 0.147 0.000 0.197 526 E C 2.114 178.710 176.600 -0.006 0.000 1.004 526 E CA 1.407 57.855 56.400 0.080 0.000 0.805 526 E CB -0.048 29.637 29.700 -0.024 0.000 0.744 526 E HN 0.419 nan 8.360 nan 0.000 0.451 527 I N -1.750 118.735 120.570 -0.142 0.000 2.867 527 I HA 0.009 4.267 4.170 0.147 0.000 0.265 527 I C 0.284 176.067 176.117 -0.556 0.000 1.162 527 I CA 0.325 61.391 61.300 -0.391 0.000 1.471 527 I CB 0.229 37.884 38.000 -0.575 0.000 1.123 527 I HN -0.127 nan 8.210 nan 0.000 0.440 528 F N 3.893 123.774 119.950 -0.115 0.000 2.441 528 F HA 0.287 4.902 4.527 0.147 0.000 0.337 528 F C 0.311 176.276 175.800 0.275 0.000 1.182 528 F CA -1.248 56.619 58.000 -0.223 0.000 1.279 528 F CB -0.342 38.533 39.000 -0.208 0.000 1.614 528 F HN 0.270 nan 8.300 nan 0.000 0.574 529 N N -0.790 118.132 118.700 0.370 0.000 2.566 529 N HA 0.124 4.953 4.740 0.147 0.000 0.299 529 N C 0.779 176.587 175.510 0.496 0.000 1.277 529 N CA -0.597 52.711 53.050 0.430 0.000 0.965 529 N CB 0.370 39.016 38.487 0.265 0.000 1.142 529 N HN 0.100 nan 8.380 nan 0.000 0.596 530 D N -0.309 120.354 120.400 0.437 0.000 2.127 530 D HA -0.216 4.512 4.640 0.147 0.000 0.190 530 D C 1.709 178.151 176.300 0.237 0.000 1.000 530 D CA 2.555 56.800 54.000 0.408 0.000 0.839 530 D CB -0.510 40.560 40.800 0.449 0.000 0.955 530 D HN 0.694 nan 8.370 nan 0.000 0.446 531 S N 0.438 116.265 115.700 0.213 0.000 2.399 531 S HA -0.177 4.381 4.470 0.147 0.000 0.231 531 S C 1.978 176.635 174.600 0.094 0.000 1.022 531 S CA 0.465 58.747 58.200 0.137 0.000 0.983 531 S CB -0.812 62.458 63.200 0.117 0.000 0.803 531 S HN 0.293 nan 8.310 nan 0.000 0.480 532 F N 1.397 121.341 119.950 -0.009 0.000 2.051 532 F HA -0.006 4.610 4.527 0.147 0.000 0.296 532 F C 1.970 177.648 175.800 -0.202 0.000 1.122 532 F CA 1.382 59.302 58.000 -0.133 0.000 1.201 532 F CB -0.653 38.233 39.000 -0.191 0.000 0.978 532 F HN 0.176 nan 8.300 nan 0.000 0.472 533 W N 1.013 122.187 121.300 -0.211 0.000 2.358 533 W HA -0.100 4.648 4.660 0.147 0.000 0.303 533 W C 2.444 178.737 176.519 -0.377 0.000 1.208 533 W CA 1.599 58.663 57.345 -0.468 0.000 1.274 533 W CB -0.678 28.163 29.460 -1.033 0.000 1.138 533 W HN 0.060 nan 8.180 nan 0.000 0.515 534 E N -0.326 119.853 120.200 -0.035 0.000 2.265 534 E HA -0.153 4.286 4.350 0.147 0.000 0.196 534 E C 2.007 178.604 176.600 -0.005 0.000 0.996 534 E CA 1.365 57.798 56.400 0.054 0.000 0.832 534 E CB -0.250 29.519 29.700 0.116 0.000 0.756 534 E HN 0.102 nan 8.360 nan 0.000 0.491 535 S N 0.396 116.043 115.700 -0.088 0.000 2.489 535 S HA 0.039 4.597 4.470 0.147 0.000 0.228 535 S C 0.778 175.288 174.600 -0.149 0.000 0.995 535 S CA 0.169 58.318 58.200 -0.087 0.000 0.934 535 S CB 0.071 63.236 63.200 -0.058 0.000 0.771 535 S HN 0.123 nan 8.310 nan 0.000 0.522 536 L N 1.873 122.967 121.223 -0.216 0.000 2.436 536 L HA 0.167 4.595 4.340 0.147 0.000 0.265 536 L C 1.042 177.820 176.870 -0.154 0.000 1.168 536 L CA -0.420 54.263 54.840 -0.262 0.000 0.815 536 L CB 0.394 42.283 42.059 -0.283 0.000 1.109 536 L HN 0.026 nan 8.230 nan 0.000 0.462 537 D N 1.196 121.457 120.400 -0.232 0.000 2.183 537 D HA 0.082 4.811 4.640 0.147 0.000 0.205 537 D C -0.175 176.221 176.300 0.160 0.000 0.962 537 D CA 1.236 55.201 54.000 -0.057 0.000 0.849 537 D CB 0.408 41.164 40.800 -0.073 0.000 0.978 537 D HN 0.362 nan 8.370 nan 0.000 0.488 538 F N -2.248 117.683 119.950 -0.031 0.000 2.842 538 F HA 0.466 5.081 4.527 0.147 0.000 0.319 538 F C -1.696 174.165 175.800 0.102 0.000 1.159 538 F CA -1.414 56.617 58.000 0.051 0.000 0.902 538 F CB 0.876 39.891 39.000 0.025 0.000 1.311 538 F HN -0.375 nan 8.300 nan 0.000 0.453 539 V N 0.718 120.873 119.914 0.402 0.000 2.680 539 V HA 0.798 5.006 4.120 0.147 0.000 0.309 539 V C -0.669 175.639 176.094 0.357 0.000 1.052 539 V CA -0.585 61.906 62.300 0.318 0.000 0.908 539 V CB 2.012 34.071 31.823 0.393 0.000 1.001 539 V HN 0.929 nan 8.190 nan 0.000 0.431 540 T N 3.162 117.876 114.554 0.267 0.000 2.848 540 T HA 0.392 4.830 4.350 0.147 0.000 0.285 540 T C -0.391 174.345 174.700 0.061 0.000 0.995 540 T CA -0.532 61.722 62.100 0.256 0.000 0.970 540 T CB 0.908 70.059 68.868 0.471 0.000 0.976 540 T HN 0.682 nan 8.240 nan 0.000 0.441 541 N N 1.203 119.923 118.700 0.034 0.000 2.499 541 N HA 0.518 5.346 4.740 0.147 0.000 0.281 541 N C -0.176 175.302 175.510 -0.053 0.000 1.098 541 N CA -0.510 52.517 53.050 -0.039 0.000 0.979 541 N CB 0.969 39.427 38.487 -0.048 0.000 1.121 541 N HN 0.686 nan 8.380 nan 0.000 0.466 542 A N 3.501 126.273 122.820 -0.079 0.000 2.959 542 A HA 0.315 4.723 4.320 0.147 0.000 0.280 542 A C -0.436 177.119 177.584 -0.048 0.000 0.953 542 A CA -0.394 51.599 52.037 -0.072 0.000 1.047 542 A CB -0.078 18.862 19.000 -0.100 0.000 1.147 542 A HN 0.516 nan 8.150 nan 0.000 0.489 543 L N 0.076 121.274 121.223 -0.042 0.000 2.352 543 L HA 0.496 4.924 4.340 0.147 0.000 0.269 543 L C 0.386 177.253 176.870 -0.006 0.000 1.034 543 L CA -0.740 54.083 54.840 -0.028 0.000 0.806 543 L CB 1.656 43.690 42.059 -0.042 0.000 1.244 543 L HN 0.459 nan 8.230 nan 0.000 0.447 544 D N -0.671 119.734 120.400 0.009 0.000 2.535 544 D HA 0.091 4.819 4.640 0.147 0.000 0.229 544 D C -0.407 175.912 176.300 0.031 0.000 1.238 544 D CA -0.208 53.808 54.000 0.025 0.000 0.824 544 D CB 0.082 40.902 40.800 0.033 0.000 1.045 544 D HN 0.504 nan 8.370 nan 0.000 0.500 545 N N -0.251 118.465 118.700 0.026 0.000 2.396 545 N HA 0.048 4.876 4.740 0.147 0.000 0.275 545 N C -0.320 175.216 175.510 0.043 0.000 1.218 545 N CA -0.611 52.461 53.050 0.037 0.000 0.812 545 N CB 2.355 40.861 38.487 0.032 0.000 1.592 545 N HN -0.169 nan 8.380 nan 0.000 0.480 546 V N 1.592 121.550 119.914 0.072 0.000 2.407 546 V HA -0.093 4.115 4.120 0.147 0.000 0.245 546 V C 1.361 177.520 176.094 0.109 0.000 1.041 546 V CA 1.846 64.217 62.300 0.118 0.000 1.040 546 V CB -0.543 31.373 31.823 0.155 0.000 0.671 546 V HN 0.685 nan 8.190 nan 0.000 0.455 547 D N 0.986 121.437 120.400 0.085 0.000 2.104 547 D HA -0.147 4.581 4.640 0.147 0.000 0.194 547 D C 2.225 178.583 176.300 0.097 0.000 0.994 547 D CA 1.839 55.891 54.000 0.087 0.000 0.830 547 D CB -0.523 40.313 40.800 0.059 0.000 0.959 547 D HN 0.550 nan 8.370 nan 0.000 0.452 548 A N 0.904 123.764 122.820 0.067 0.000 1.902 548 A HA -0.199 4.209 4.320 0.147 0.000 0.217 548 A C 2.194 179.824 177.584 0.076 0.000 1.181 548 A CA 1.403 53.489 52.037 0.081 0.000 0.623 548 A CB -0.455 18.569 19.000 0.040 0.000 0.818 548 A HN 0.114 nan 8.150 nan 0.000 0.443 549 R N -1.084 119.397 120.500 -0.031 0.000 2.083 549 R HA -0.104 4.324 4.340 0.147 0.000 0.237 549 R C 2.325 178.541 176.300 -0.140 0.000 1.137 549 R CA 1.879 57.850 56.100 -0.216 0.000 0.951 549 R CB -0.794 29.175 30.300 -0.552 0.000 0.851 549 R HN 0.522 nan 8.270 nan 0.000 0.434 550 T N 0.248 114.823 114.554 0.035 0.000 2.720 550 T HA -0.220 4.218 4.350 0.147 0.000 0.268 550 T C 1.427 176.197 174.700 0.118 0.000 1.037 550 T CA 1.546 63.737 62.100 0.151 0.000 1.144 550 T CB -0.387 68.591 68.868 0.182 0.000 0.864 550 T HN 0.320 nan 8.240 nan 0.000 0.444 551 Y N 1.612 121.931 120.300 0.031 0.000 2.145 551 Y HA -0.140 4.499 4.550 0.147 0.000 0.286 551 Y C 2.309 178.238 175.900 0.048 0.000 1.145 551 Y CA 0.863 58.984 58.100 0.035 0.000 1.148 551 Y CB -0.589 37.904 38.460 0.055 0.000 0.981 551 Y HN -0.031 nan 8.280 nan 0.000 0.507 552 V N 0.602 120.587 119.914 0.119 0.000 2.407 552 V HA -0.285 3.924 4.120 0.147 0.000 0.248 552 V C 2.032 178.139 176.094 0.021 0.000 1.055 552 V CA 2.174 64.543 62.300 0.114 0.000 1.049 552 V CB -0.814 31.134 31.823 0.207 0.000 0.662 552 V HN 0.448 nan 8.190 nan 0.000 0.455 553 D N 0.244 120.652 120.400 0.012 0.000 2.092 553 D HA -0.198 4.530 4.640 0.147 0.000 0.193 553 D C 2.392 178.658 176.300 -0.057 0.000 0.994 553 D CA 1.557 55.577 54.000 0.033 0.000 0.828 553 D CB -0.122 40.739 40.800 0.103 0.000 0.963 553 D HN 0.312 nan 8.370 nan 0.000 0.450 554 R N -0.225 120.193 120.500 -0.136 0.000 2.105 554 R HA -0.057 4.371 4.340 0.147 0.000 0.239 554 R C 2.489 178.627 176.300 -0.270 0.000 1.135 554 R CA 0.814 56.786 56.100 -0.212 0.000 0.967 554 R CB -0.210 29.945 30.300 -0.242 0.000 0.861 554 R HN 0.229 nan 8.270 nan 0.000 0.442 555 R N 0.480 120.743 120.500 -0.395 0.000 2.070 555 R HA -0.100 4.328 4.340 0.147 0.000 0.233 555 R C 2.416 178.580 176.300 -0.226 0.000 1.137 555 R CA 1.406 57.199 56.100 -0.512 0.000 0.945 555 R CB -0.954 28.780 30.300 -0.943 0.000 0.845 555 R HN 0.288 nan 8.270 nan 0.000 0.430 556 C N 0.381 119.646 119.300 -0.058 0.000 2.413 556 C HA -0.100 4.448 4.460 0.147 0.000 0.277 556 C C 2.912 178.059 174.990 0.262 0.000 1.265 556 C CA 1.063 60.209 59.018 0.213 0.000 1.752 556 C CB -1.102 26.818 27.740 0.299 0.000 1.998 556 C HN 0.488 nan 8.230 nan 0.000 0.489 557 V N -0.087 119.857 119.914 0.049 0.000 2.379 557 V HA -0.145 4.063 4.120 0.147 0.000 0.245 557 V C 2.065 178.200 176.094 0.068 0.000 1.044 557 V CA 2.115 64.343 62.300 -0.120 0.000 1.036 557 V CB -1.013 30.434 31.823 -0.626 0.000 0.664 557 V HN 0.441 nan 8.190 nan 0.000 0.453 558 F N 1.528 121.379 119.950 -0.165 0.000 2.043 558 F HA -0.174 4.441 4.527 0.147 0.000 0.297 558 F C 1.880 177.578 175.800 -0.169 0.000 1.121 558 F CA 2.175 60.028 58.000 -0.245 0.000 1.199 558 F CB -0.553 38.116 39.000 -0.551 0.000 0.968 558 F HN 0.299 nan 8.300 nan 0.000 0.478 559 Y N 0.458 120.799 120.300 0.069 0.000 2.496 559 Y HA 0.236 4.874 4.550 0.147 0.000 0.313 559 Y C 0.438 176.426 175.900 0.147 0.000 1.184 559 Y CA -0.425 57.711 58.100 0.060 0.000 1.275 559 Y CB -0.571 37.999 38.460 0.183 0.000 1.103 559 Y HN -0.083 nan 8.280 nan 0.000 0.513 560 R N 0.940 121.627 120.500 0.312 0.000 2.916 560 R HA -0.205 4.223 4.340 0.147 0.000 0.232 560 R C -0.894 175.576 176.300 0.283 0.000 0.833 560 R CA 0.546 56.860 56.100 0.358 0.000 0.566 560 R CB -1.179 29.253 30.300 0.220 0.000 1.058 560 R HN 0.050 nan 8.270 nan 0.000 0.498 561 K N 0.496 121.118 120.400 0.370 0.000 2.221 561 K HA 0.409 4.817 4.320 0.147 0.000 0.258 561 K C -2.395 174.381 176.600 0.293 0.000 0.944 561 K CA -2.565 53.911 56.287 0.315 0.000 0.823 561 K CB 1.450 34.189 32.500 0.398 0.000 1.113 561 K HN -0.138 nan 8.250 nan 0.000 0.431 562 P HA 0.156 nan 4.420 nan 0.000 0.271 562 P C -0.797 176.661 177.300 0.263 0.000 1.218 562 P CA -0.564 62.631 63.100 0.158 0.000 0.780 562 P CB 0.488 32.235 31.700 0.077 0.000 0.901 563 L N 3.639 124.994 121.223 0.219 0.000 2.439 563 L HA 0.421 4.849 4.340 0.147 0.000 0.270 563 L C -1.544 175.431 176.870 0.175 0.000 0.972 563 L CA -0.485 54.500 54.840 0.242 0.000 0.836 563 L CB 1.206 43.416 42.059 0.252 0.000 1.255 563 L HN 0.164 nan 8.230 nan 0.000 0.404 564 L N 4.395 125.732 121.223 0.190 0.000 2.257 564 L HA 0.556 4.985 4.340 0.147 0.000 0.290 564 L C -0.172 176.773 176.870 0.125 0.000 1.044 564 L CA -0.330 54.597 54.840 0.146 0.000 0.810 564 L CB 1.228 43.387 42.059 0.165 0.000 1.193 564 L HN 0.642 nan 8.230 nan 0.000 0.425 565 E N 3.522 123.783 120.200 0.103 0.000 2.207 565 E HA 0.746 5.184 4.350 0.147 0.000 0.270 565 E C -0.877 175.762 176.600 0.065 0.000 0.927 565 E CA -0.541 55.902 56.400 0.072 0.000 0.799 565 E CB 1.885 31.648 29.700 0.106 0.000 1.172 565 E HN 0.498 nan 8.360 nan 0.000 0.404 566 S N 1.570 117.295 115.700 0.042 0.000 2.588 566 S HA 0.921 5.479 4.470 0.147 0.000 0.269 566 S C -0.481 174.143 174.600 0.040 0.000 1.157 566 S CA -0.446 57.779 58.200 0.040 0.000 0.824 566 S CB 1.225 64.443 63.200 0.030 0.000 1.126 566 S HN 0.975 nan 8.310 nan 0.000 0.464 567 G N 0.238 109.067 108.800 0.049 0.000 2.673 567 G HA2 0.709 4.757 3.960 0.147 0.000 0.292 567 G HA3 0.709 4.757 3.960 0.147 0.000 0.292 567 G C -0.849 174.084 174.900 0.054 0.000 1.450 567 G CA -0.002 45.133 45.100 0.057 0.000 0.837 567 G HN 1.538 nan 8.290 nan 0.000 0.505 568 T N -1.988 112.598 114.554 0.053 0.000 2.901 568 T HA 0.782 5.220 4.350 0.147 0.000 0.293 568 T C -1.458 173.279 174.700 0.061 0.000 1.084 568 T CA -0.938 61.192 62.100 0.050 0.000 1.008 568 T CB 2.071 70.962 68.868 0.039 0.000 1.170 568 T HN 1.727 nan 8.240 nan 0.000 0.509 569 L N 1.336 122.594 121.223 0.058 0.000 2.676 569 L HA 0.624 5.052 4.340 0.147 0.000 0.262 569 L C 0.597 177.505 176.870 0.064 0.000 0.965 569 L CA 1.230 56.114 54.840 0.073 0.000 0.920 569 L CB 0.719 42.823 42.059 0.076 0.000 1.260 569 L HN 1.465 nan 8.230 nan 0.000 0.422 570 G N 3.930 112.780 108.800 0.083 0.000 2.665 570 G HA2 -0.452 3.596 3.960 0.147 0.000 0.326 570 G HA3 -0.452 3.596 3.960 0.147 0.000 0.326 570 G C 0.758 175.662 174.900 0.006 0.000 1.231 570 G CA 1.510 46.654 45.100 0.072 0.000 0.992 570 G HN 1.574 nan 8.290 nan 0.000 0.549 571 T N -0.873 113.640 114.554 -0.069 0.000 3.065 571 T HA 0.382 4.820 4.350 0.147 0.000 0.252 571 T C 0.985 175.611 174.700 -0.122 0.000 1.099 571 T CA 1.258 63.260 62.100 -0.163 0.000 1.063 571 T CB 0.149 68.775 68.868 -0.405 0.000 0.948 571 T HN 0.676 nan 8.240 nan 0.000 0.506 572 K N 1.124 121.488 120.400 -0.060 0.000 2.237 572 K HA 0.613 5.021 4.320 0.147 0.000 0.270 572 K C 0.300 176.908 176.600 0.013 0.000 1.015 572 K CA -0.320 55.958 56.287 -0.015 0.000 0.949 572 K CB 1.132 33.641 32.500 0.016 0.000 0.976 572 K HN 0.377 nan 8.250 nan 0.000 0.472 573 G N 1.064 109.885 108.800 0.036 0.000 2.660 573 G HA2 0.415 4.464 3.960 0.147 0.000 0.290 573 G HA3 0.415 4.464 3.960 0.147 0.000 0.290 573 G C -1.874 173.061 174.900 0.059 0.000 1.432 573 G CA -0.734 44.392 45.100 0.043 0.000 0.807 573 G HN 0.712 nan 8.290 nan 0.000 0.485 574 N N -1.066 117.648 118.700 0.024 0.000 2.598 574 N HA 0.601 5.430 4.740 0.147 0.000 0.263 574 N C -1.133 174.321 175.510 -0.093 0.000 1.254 574 N CA -0.449 52.551 53.050 -0.083 0.000 0.863 574 N CB 1.997 40.475 38.487 -0.016 0.000 1.586 574 N HN 0.801 nan 8.380 nan 0.000 0.491 575 T N -2.097 112.337 114.554 -0.199 0.000 2.863 575 T HA 0.557 4.995 4.350 0.147 0.000 0.285 575 T C -0.605 174.033 174.700 -0.105 0.000 1.009 575 T CA -0.678 61.373 62.100 -0.083 0.000 0.989 575 T CB 2.386 71.250 68.868 -0.008 0.000 1.004 575 T HN 0.646 nan 8.240 nan 0.000 0.455 576 Q N 1.532 121.342 119.800 0.017 0.000 2.347 576 Q HA 0.617 5.045 4.340 0.147 0.000 0.271 576 Q C -1.335 174.720 176.000 0.091 0.000 1.064 576 Q CA -1.030 54.809 55.803 0.061 0.000 0.800 576 Q CB 2.241 31.059 28.738 0.133 0.000 1.304 576 Q HN 0.830 nan 8.270 nan 0.000 0.438 577 V N 1.517 121.479 119.914 0.079 0.000 2.427 577 V HA 0.620 4.828 4.120 0.147 0.000 0.286 577 V C -0.411 175.698 176.094 0.025 0.000 1.034 577 V CA -0.731 61.593 62.300 0.039 0.000 0.893 577 V CB 1.074 32.889 31.823 -0.013 0.000 0.982 577 V HN 0.653 nan 8.190 nan 0.000 0.452 578 I N 6.314 126.919 120.570 0.059 0.000 2.382 578 I HA 0.565 4.823 4.170 0.147 0.000 0.285 578 I C -0.391 175.751 176.117 0.042 0.000 1.007 578 I CA -0.188 61.193 61.300 0.135 0.000 1.142 578 I CB 1.513 39.673 38.000 0.267 0.000 1.289 578 I HN 0.823 nan 8.210 nan 0.000 0.453 579 I N 6.839 127.336 120.570 -0.123 0.000 2.433 579 I HA 0.717 4.975 4.170 0.147 0.000 0.292 579 I C -2.699 172.996 176.117 -0.704 0.000 1.001 579 I CA -2.409 58.694 61.300 -0.329 0.000 1.119 579 I CB 1.765 39.504 38.000 -0.435 0.000 1.289 579 I HN 0.221 nan 8.210 nan 0.000 0.438 580 P HA 0.154 nan 4.420 nan 0.000 0.264 580 P C -0.338 176.205 177.300 -1.261 0.000 1.183 580 P CA 0.334 62.296 63.100 -1.897 0.000 0.763 580 P CB 0.340 31.562 31.700 -0.797 0.000 0.807 581 R N 0.489 120.071 120.500 -1.529 0.000 3.994 581 R HA -0.200 4.228 4.340 0.147 0.000 0.403 581 R C 0.699 176.786 176.300 -0.355 0.000 1.126 581 R CA 0.707 56.467 56.100 -0.566 0.000 1.143 581 R CB -1.705 28.434 30.300 -0.268 0.000 1.695 581 R HN 0.469 nan 8.270 nan 0.000 0.555 582 L N -1.104 119.857 121.223 -0.437 0.000 2.664 582 L HA 0.167 4.595 4.340 0.147 0.000 0.198 582 L C 1.032 177.889 176.870 -0.022 0.000 1.057 582 L CA 1.209 55.946 54.840 -0.173 0.000 0.871 582 L CB 0.690 42.629 42.059 -0.199 0.000 1.364 582 L HN 0.286 nan 8.230 nan 0.000 0.483 583 T N -2.637 111.938 114.554 0.036 0.000 2.938 583 T HA 0.351 4.790 4.350 0.147 0.000 0.285 583 T C -0.041 174.876 174.700 0.362 0.000 1.028 583 T CA -0.709 61.484 62.100 0.155 0.000 1.005 583 T CB 1.987 70.895 68.868 0.066 0.000 1.157 583 T HN 0.046 nan 8.240 nan 0.000 0.550 584 E N 0.641 120.978 120.200 0.230 0.000 2.409 584 E HA 0.356 4.794 4.350 0.147 0.000 0.257 584 E C 0.407 177.136 176.600 0.215 0.000 1.150 584 E CA -0.377 56.135 56.400 0.187 0.000 0.942 584 E CB 0.590 30.353 29.700 0.106 0.000 0.979 584 E HN 0.783 nan 8.360 nan 0.000 0.447 585 S N 0.339 116.106 115.700 0.112 0.000 2.738 585 S HA 0.084 4.642 4.470 0.147 0.000 0.284 585 S C 0.807 175.489 174.600 0.137 0.000 1.146 585 S CA -0.624 57.652 58.200 0.127 0.000 0.997 585 S CB 0.377 63.564 63.200 -0.022 0.000 1.081 585 S HN 0.644 nan 8.310 nan 0.000 0.553 586 Y N 1.563 121.899 120.300 0.060 0.000 2.097 586 Y HA -0.152 4.486 4.550 0.147 0.000 0.282 586 Y C 2.540 178.463 175.900 0.038 0.000 1.152 586 Y CA 2.476 60.612 58.100 0.059 0.000 1.136 586 Y CB -0.870 37.628 38.460 0.064 0.000 0.975 586 Y HN 0.669 nan 8.280 nan 0.000 0.498 587 S N -0.745 115.027 115.700 0.120 0.000 2.547 587 S HA -0.138 4.420 4.470 0.147 0.000 0.235 587 S C 1.881 176.457 174.600 -0.040 0.000 0.980 587 S CA 0.968 59.183 58.200 0.025 0.000 0.941 587 S CB -0.360 62.867 63.200 0.046 0.000 0.763 587 S HN 0.405 nan 8.310 nan 0.000 0.532 588 S N 0.939 116.616 115.700 -0.039 0.000 2.507 588 S HA 0.115 4.673 4.470 0.147 0.000 0.235 588 S C 0.783 175.354 174.600 -0.048 0.000 0.988 588 S CA 0.163 58.342 58.200 -0.035 0.000 0.944 588 S CB 0.044 63.240 63.200 -0.007 0.000 0.762 588 S HN 0.394 nan 8.310 nan 0.000 0.526 589 S N 0.412 116.057 115.700 -0.093 0.000 2.548 589 S HA 0.537 5.095 4.470 0.147 0.000 0.286 589 S C -0.770 173.754 174.600 -0.127 0.000 1.098 589 S CA -0.857 57.282 58.200 -0.102 0.000 0.930 589 S CB 0.883 64.012 63.200 -0.118 0.000 1.070 589 S HN 0.093 nan 8.310 nan 0.000 0.480 590 R N 2.152 122.603 120.500 -0.083 0.000 2.536 590 R HA 0.530 4.959 4.340 0.147 0.000 0.279 590 R C -1.032 175.231 176.300 -0.062 0.000 1.001 590 R CA -0.567 55.494 56.100 -0.066 0.000 1.027 590 R CB 0.949 31.227 30.300 -0.038 0.000 1.096 590 R HN 0.667 nan 8.270 nan 0.000 0.502 591 D N 1.269 121.644 120.400 -0.042 0.000 2.527 591 D HA 0.366 5.095 4.640 0.147 0.000 0.233 591 D C -2.277 174.021 176.300 -0.004 0.000 1.063 591 D CA -1.476 52.512 54.000 -0.019 0.000 0.880 591 D CB 1.920 42.718 40.800 -0.002 0.000 1.457 591 D HN 0.116 nan 8.370 nan 0.000 0.475 592 P HA 0.178 nan 4.420 nan 0.000 0.263 592 P C -2.183 175.124 177.300 0.012 0.000 1.195 592 P CA -0.633 62.469 63.100 0.003 0.000 0.762 592 P CB -0.220 31.482 31.700 0.002 0.000 0.799 593 P HA 0.259 nan 4.420 nan 0.000 0.276 593 P C -0.476 176.834 177.300 0.016 0.000 1.252 593 P CA -0.437 62.672 63.100 0.016 0.000 0.802 593 P CB 0.823 32.531 31.700 0.013 0.000 1.035 594 E N 0.702 120.912 120.200 0.017 0.000 2.324 594 E HA 0.159 4.597 4.350 0.147 0.000 0.271 594 E C -0.248 176.362 176.600 0.016 0.000 1.028 594 E CA -0.114 56.295 56.400 0.014 0.000 0.890 594 E CB 0.301 30.007 29.700 0.010 0.000 1.004 594 E HN 0.104 nan 8.360 nan 0.000 0.431 595 K N 2.223 122.635 120.400 0.019 0.000 2.234 595 K HA 0.249 4.657 4.320 0.147 0.000 0.282 595 K C -0.810 175.806 176.600 0.026 0.000 1.039 595 K CA -0.398 55.903 56.287 0.022 0.000 0.928 595 K CB 0.694 33.209 32.500 0.025 0.000 1.039 595 K HN 0.531 nan 8.250 nan 0.000 0.470 596 S N 3.569 119.283 115.700 0.023 0.000 2.632 596 S HA 0.489 5.047 4.470 0.147 0.000 0.267 596 S C 0.367 174.984 174.600 0.028 0.000 1.276 596 S CA -0.858 57.357 58.200 0.025 0.000 0.998 596 S CB 0.443 63.654 63.200 0.018 0.000 0.953 596 S HN 0.486 nan 8.310 nan 0.000 0.547 597 I N 1.688 122.276 120.570 0.030 0.000 2.365 597 I HA 0.321 4.580 4.170 0.147 0.000 0.291 597 I C -2.266 173.842 176.117 -0.016 0.000 1.004 597 I CA -2.446 58.861 61.300 0.012 0.000 1.311 597 I CB 0.517 38.533 38.000 0.026 0.000 1.401 597 I HN 0.415 nan 8.210 nan 0.000 0.491 598 P HA -0.000 nan 4.420 nan 0.000 0.263 598 P C 0.801 178.084 177.300 -0.027 0.000 1.175 598 P CA 0.142 63.227 63.100 -0.026 0.000 0.761 598 P CB 0.552 32.232 31.700 -0.034 0.000 0.794 599 L N 1.846 123.067 121.223 -0.004 0.000 2.083 599 L HA -0.220 4.208 4.340 0.147 0.000 0.209 599 L C 2.342 179.214 176.870 0.004 0.000 1.083 599 L CA 1.494 56.337 54.840 0.007 0.000 0.752 599 L CB -0.621 41.448 42.059 0.016 0.000 0.899 599 L HN 0.491 nan 8.230 nan 0.000 0.433 600 C N -0.546 118.763 119.300 0.015 0.000 2.446 600 C HA -0.159 4.389 4.460 0.147 0.000 0.277 600 C C 3.180 178.171 174.990 0.002 0.000 1.275 600 C CA 1.555 60.593 59.018 0.033 0.000 1.727 600 C CB -0.837 26.982 27.740 0.131 0.000 2.010 600 C HN 0.670 nan 8.230 nan 0.000 0.486 601 T N -0.522 114.027 114.554 -0.007 0.000 2.833 601 T HA -0.097 4.342 4.350 0.147 0.000 0.269 601 T C 1.719 176.313 174.700 -0.178 0.000 1.054 601 T CA 1.241 63.289 62.100 -0.087 0.000 1.135 601 T CB -0.408 68.321 68.868 -0.232 0.000 0.869 601 T HN 0.477 nan 8.240 nan 0.000 0.466 602 L N 0.077 121.231 121.223 -0.115 0.000 2.027 602 L HA 0.018 4.446 4.340 0.147 0.000 0.206 602 L C 3.243 180.109 176.870 -0.007 0.000 1.074 602 L CA 1.813 56.637 54.840 -0.027 0.000 0.745 602 L CB -0.576 41.518 42.059 0.058 0.000 0.898 602 L HN 0.324 nan 8.230 nan 0.000 0.433 603 R N -0.988 119.502 120.500 -0.017 0.000 2.075 603 R HA -0.070 4.358 4.340 0.147 0.000 0.226 603 R C 1.823 178.048 176.300 -0.125 0.000 1.114 603 R CA 1.665 57.776 56.100 0.018 0.000 0.972 603 R CB 0.284 30.593 30.300 0.015 0.000 0.869 603 R HN 0.246 nan 8.270 nan 0.000 0.437 604 S N -1.514 113.985 115.700 -0.335 0.000 2.691 604 S HA 0.205 4.763 4.470 0.147 0.000 0.258 604 S C -0.432 173.822 174.600 -0.576 0.000 1.078 604 S CA -0.404 57.465 58.200 -0.551 0.000 1.000 604 S CB 0.771 63.357 63.200 -1.024 0.000 0.942 604 S HN 0.118 nan 8.310 nan 0.000 0.521 605 F N 3.357 123.280 119.950 -0.045 0.000 2.542 605 F HA 0.442 5.057 4.527 0.147 0.000 0.323 605 F C -2.823 172.858 175.800 -0.198 0.000 1.411 605 F CA -3.035 54.932 58.000 -0.056 0.000 1.124 605 F CB 0.351 39.319 39.000 -0.054 0.000 1.331 605 F HN -0.060 nan 8.300 nan 0.000 0.560 606 P HA 0.235 nan 4.420 nan 0.000 0.278 606 P C -0.199 177.118 177.300 0.028 0.000 1.238 606 P CA -0.176 62.824 63.100 -0.166 0.000 0.794 606 P CB 1.432 32.898 31.700 -0.390 0.000 0.955 607 N N -0.747 118.139 118.700 0.310 0.000 2.142 607 N HA 0.152 4.980 4.740 0.147 0.000 0.233 607 N C -0.317 175.222 175.510 0.049 0.000 1.335 607 N CA -0.290 52.868 53.050 0.180 0.000 0.837 607 N CB 0.589 39.182 38.487 0.177 0.000 1.238 607 N HN 0.211 nan 8.380 nan 0.000 0.501 608 K N -0.131 120.194 120.400 -0.124 0.000 2.508 608 K HA 0.322 4.730 4.320 0.147 0.000 0.260 608 K C -0.147 176.301 176.600 -0.253 0.000 0.949 608 K CA -0.872 55.209 56.287 -0.344 0.000 0.834 608 K CB 2.467 34.533 32.500 -0.724 0.000 1.365 608 K HN -0.142 nan 8.250 nan 0.000 0.437 609 I N 2.069 122.558 120.570 -0.136 0.000 2.454 609 I HA -0.228 4.030 4.170 0.147 0.000 0.254 609 I C 0.960 177.054 176.117 -0.038 0.000 1.156 609 I CA 1.851 63.123 61.300 -0.048 0.000 1.433 609 I CB -0.093 37.904 38.000 -0.005 0.000 1.082 609 I HN 0.640 nan 8.210 nan 0.000 0.432 610 D N -0.674 119.660 120.400 -0.109 0.000 2.123 610 D HA -0.236 4.492 4.640 0.147 0.000 0.196 610 D C 1.975 178.308 176.300 0.055 0.000 0.992 610 D CA 1.563 55.536 54.000 -0.045 0.000 0.833 610 D CB -0.287 40.466 40.800 -0.078 0.000 0.954 610 D HN 0.421 nan 8.370 nan 0.000 0.455 611 H N -0.481 118.604 119.070 0.025 0.000 2.357 611 H HA -0.005 4.639 4.556 0.146 0.000 0.301 611 H C 2.271 177.628 175.328 0.047 0.000 1.082 611 H CA 1.313 57.371 56.048 0.017 0.000 1.342 611 H CB -0.768 28.973 29.762 -0.036 0.000 1.389 611 H HN 0.107 nan 8.280 nan 0.000 0.511 612 T N 0.568 115.207 114.554 0.142 0.000 2.857 612 T HA 0.019 4.457 4.350 0.147 0.000 0.266 612 T C 2.299 177.147 174.700 0.247 0.000 1.048 612 T CA 0.497 62.670 62.100 0.122 0.000 1.139 612 T CB -0.149 68.743 68.868 0.041 0.000 0.874 612 T HN 0.134 nan 8.240 nan 0.000 0.455 613 I N 1.115 121.794 120.570 0.181 0.000 2.202 613 I HA -0.138 4.120 4.170 0.147 0.000 0.242 613 I C 2.852 179.076 176.117 0.178 0.000 1.091 613 I CA 1.128 62.532 61.300 0.173 0.000 1.368 613 I CB -0.454 37.613 38.000 0.111 0.000 1.058 613 I HN 0.189 nan 8.210 nan 0.000 0.410 614 A N 0.228 123.146 122.820 0.164 0.000 1.892 614 A HA -0.305 4.103 4.320 0.147 0.000 0.218 614 A C 2.121 179.818 177.584 0.188 0.000 1.188 614 A CA 1.989 54.108 52.037 0.138 0.000 0.631 614 A CB -1.385 17.694 19.000 0.131 0.000 0.822 614 A HN 0.683 nan 8.150 nan 0.000 0.447 615 W N 0.462 121.795 121.300 0.055 0.000 2.335 615 W HA -0.145 4.600 4.660 0.141 0.000 0.311 615 W C 2.498 179.075 176.519 0.097 0.000 1.213 615 W CA 2.505 59.883 57.345 0.056 0.000 1.274 615 W CB -0.287 29.206 29.460 0.055 0.000 1.148 615 W HN 0.357 nan 8.180 nan 0.000 0.498 616 A N 0.327 123.387 122.820 0.401 0.000 1.933 616 A HA -0.232 4.176 4.320 0.147 0.000 0.218 616 A C 2.030 179.730 177.584 0.193 0.000 1.175 616 A CA 2.046 54.252 52.037 0.280 0.000 0.628 616 A CB -0.976 18.250 19.000 0.378 0.000 0.814 616 A HN 0.425 nan 8.150 nan 0.000 0.444 617 K N -0.551 119.922 120.400 0.122 0.000 2.026 617 K HA -0.121 4.287 4.320 0.147 0.000 0.208 617 K C 2.307 178.936 176.600 0.048 0.000 1.048 617 K CA 1.525 57.837 56.287 0.041 0.000 0.929 617 K CB -0.289 32.169 32.500 -0.070 0.000 0.713 617 K HN 0.362 nan 8.250 nan 0.000 0.439 618 S N 0.530 116.212 115.700 -0.030 0.000 2.400 618 S HA -0.132 4.426 4.470 0.147 0.000 0.232 618 S C 1.753 176.244 174.600 -0.181 0.000 1.025 618 S CA 1.090 59.230 58.200 -0.101 0.000 0.993 618 S CB -0.184 62.940 63.200 -0.127 0.000 0.808 618 S HN 0.340 nan 8.310 nan 0.000 0.478 619 L N 0.292 121.368 121.223 -0.244 0.000 2.179 619 L HA 0.197 4.625 4.340 0.147 0.000 0.208 619 L C 1.793 178.522 176.870 -0.234 0.000 1.096 619 L CA 1.367 55.958 54.840 -0.415 0.000 0.779 619 L CB -0.642 41.081 42.059 -0.559 0.000 0.922 619 L HN 0.478 nan 8.230 nan 0.000 0.443 620 F N -0.685 119.264 119.950 -0.001 0.000 2.113 620 F HA -0.193 4.421 4.527 0.145 0.000 0.297 620 F C 2.486 178.285 175.800 -0.002 0.000 1.103 620 F CA 1.476 59.561 58.000 0.141 0.000 1.248 620 F CB -0.368 38.816 39.000 0.306 0.000 0.999 620 F HN 0.049 nan 8.300 nan 0.000 0.475 621 Q N 0.700 120.498 119.800 -0.003 0.000 2.096 621 Q HA -0.219 4.210 4.340 0.147 0.000 0.208 621 Q C 2.404 178.264 176.000 -0.233 0.000 0.993 621 Q CA 2.157 57.877 55.803 -0.138 0.000 0.862 621 Q CB -1.204 27.503 28.738 -0.051 0.000 0.915 621 Q HN 0.623 nan 8.270 nan 0.000 0.416 622 G N -1.412 107.231 108.800 -0.262 0.000 2.394 622 G HA2 -0.203 3.846 3.960 0.147 0.000 0.215 622 G HA3 -0.203 3.846 3.960 0.147 0.000 0.215 622 G C 1.320 176.038 174.900 -0.303 0.000 1.165 622 G CA 0.300 45.236 45.100 -0.273 0.000 0.784 622 G HN 0.378 nan 8.290 nan 0.000 0.535 623 Y N -0.556 119.428 120.300 -0.527 0.000 2.145 623 Y HA -0.064 4.572 4.550 0.143 0.000 0.286 623 Y C 2.061 177.457 175.900 -0.840 0.000 1.145 623 Y CA 0.860 58.452 58.100 -0.847 0.000 1.148 623 Y CB 0.020 37.441 38.460 -1.732 0.000 0.981 623 Y HN 0.203 nan 8.280 nan 0.000 0.507 624 F N -3.154 116.672 119.950 -0.206 0.000 2.728 624 F HA 0.161 4.775 4.527 0.145 0.000 0.314 624 F C 1.463 177.073 175.800 -0.317 0.000 1.094 624 F CA 0.132 57.933 58.000 -0.331 0.000 1.217 624 F CB -0.044 38.624 39.000 -0.554 0.000 1.056 624 F HN -0.179 nan 8.300 nan 0.000 0.577 625 T N -1.436 113.010 114.554 -0.179 0.000 3.238 625 T HA 0.012 4.450 4.350 0.147 0.000 0.242 625 T C 1.245 175.881 174.700 -0.106 0.000 0.980 625 T CA 0.514 62.538 62.100 -0.127 0.000 1.235 625 T CB -0.062 68.735 68.868 -0.118 0.000 1.069 625 T HN -0.120 nan 8.240 nan 0.000 0.407 626 D N 1.863 122.197 120.400 -0.110 0.000 2.144 626 D HA -0.000 4.728 4.640 0.147 0.000 0.200 626 D C 2.258 178.510 176.300 -0.080 0.000 0.978 626 D CA 0.813 54.766 54.000 -0.079 0.000 0.833 626 D CB -0.459 40.299 40.800 -0.071 0.000 0.961 626 D HN 0.149 nan 8.370 nan 0.000 0.470 627 S N 0.416 116.058 115.700 -0.098 0.000 2.372 627 S HA -0.234 4.324 4.470 0.147 0.000 0.227 627 S C 2.061 176.588 174.600 -0.120 0.000 1.044 627 S CA 1.575 59.721 58.200 -0.090 0.000 1.050 627 S CB -0.246 62.901 63.200 -0.089 0.000 0.901 627 S HN 0.412 nan 8.310 nan 0.000 0.447 628 A N 1.015 123.748 122.820 -0.145 0.000 1.872 628 A HA -0.079 4.330 4.320 0.147 0.000 0.214 628 A C 1.949 179.424 177.584 -0.182 0.000 1.187 628 A CA 1.396 53.316 52.037 -0.195 0.000 0.614 628 A CB -0.573 18.313 19.000 -0.190 0.000 0.826 628 A HN 0.559 nan 8.150 nan 0.000 0.442 629 E N 0.000 120.117 120.200 -0.139 0.000 2.153 629 E HA -0.176 4.262 4.350 0.147 0.000 0.194 629 E C 1.587 178.083 176.600 -0.172 0.000 0.988 629 E CA 1.105 57.427 56.400 -0.130 0.000 0.811 629 E CB -0.148 29.505 29.700 -0.078 0.000 0.746 629 E HN 0.512 nan 8.360 nan 0.000 0.466 630 N N 0.058 118.669 118.700 -0.149 0.000 2.270 630 N HA -0.087 4.742 4.740 0.147 0.000 0.181 630 N C 1.796 177.113 175.510 -0.321 0.000 1.016 630 N CA 0.575 53.511 53.050 -0.191 0.000 0.870 630 N CB -0.039 38.443 38.487 -0.009 0.000 0.979 630 N HN 0.002 nan 8.380 nan 0.000 0.431 631 V N 1.854 121.644 119.914 -0.206 0.000 2.283 631 V HA -0.147 4.061 4.120 0.147 0.000 0.243 631 V C 1.770 177.759 176.094 -0.176 0.000 1.039 631 V CA 1.256 63.469 62.300 -0.145 0.000 1.016 631 V CB -0.456 31.281 31.823 -0.144 0.000 0.650 631 V HN 0.260 nan 8.190 nan 0.000 0.449 632 N N 0.054 118.616 118.700 -0.231 0.000 2.104 632 N HA -0.173 4.655 4.740 0.147 0.000 0.190 632 N C 1.779 177.140 175.510 -0.247 0.000 1.024 632 N CA 1.702 54.618 53.050 -0.224 0.000 0.853 632 N CB -0.408 37.953 38.487 -0.209 0.000 1.008 632 N HN 0.412 nan 8.380 nan 0.000 0.424 633 M N -0.760 118.626 119.600 -0.357 0.000 2.159 633 M HA -0.172 4.396 4.480 0.147 0.000 0.263 633 M C 1.947 177.922 176.300 -0.543 0.000 1.063 633 M CA 1.201 56.223 55.300 -0.463 0.000 1.110 633 M CB -0.334 31.901 32.600 -0.609 0.000 1.374 633 M HN 0.121 nan 8.290 nan 0.000 0.411 634 Y N 1.134 120.940 120.300 -0.824 0.000 2.224 634 Y HA -0.165 4.474 4.550 0.148 0.000 0.289 634 Y C 1.737 177.544 175.900 -0.156 0.000 1.146 634 Y CA 1.540 59.396 58.100 -0.407 0.000 1.182 634 Y CB -0.231 38.080 38.460 -0.248 0.000 0.983 634 Y HN 0.114 nan 8.280 nan 0.000 0.524 635 L N -0.632 120.444 121.223 -0.245 0.000 2.418 635 L HA -0.025 4.403 4.340 0.147 0.000 0.218 635 L C 1.989 178.740 176.870 -0.197 0.000 1.125 635 L CA 1.357 56.045 54.840 -0.254 0.000 0.835 635 L CB -0.387 41.594 42.059 -0.130 0.000 0.953 635 L HN 0.350 nan 8.230 nan 0.000 0.454 636 T N -5.224 109.227 114.554 -0.171 0.000 2.969 636 T HA 0.119 4.557 4.350 0.147 0.000 0.250 636 T C 0.793 175.441 174.700 -0.087 0.000 1.021 636 T CA -0.228 61.801 62.100 -0.117 0.000 1.003 636 T CB 0.254 69.060 68.868 -0.104 0.000 1.040 636 T HN 0.113 nan 8.240 nan 0.000 0.492 637 Q N 2.770 122.522 119.800 -0.079 0.000 2.368 637 Q HA 0.433 4.861 4.340 0.147 0.000 0.263 637 Q C -2.936 173.067 176.000 0.004 0.000 1.009 637 Q CA -2.383 53.415 55.803 -0.009 0.000 0.818 637 Q CB 2.096 30.869 28.738 0.059 0.000 1.239 637 Q HN 0.214 nan 8.270 nan 0.000 0.464 638 P HA 0.120 nan 4.420 nan 0.000 0.288 638 P C -0.597 176.727 177.300 0.040 0.000 1.363 638 P CA -0.022 63.075 63.100 -0.006 0.000 0.837 638 P CB 0.062 31.746 31.700 -0.027 0.000 0.981 639 N N 0.841 119.591 118.700 0.083 0.000 2.801 639 N HA -0.199 4.629 4.740 0.147 0.000 0.150 639 N C 0.271 175.850 175.510 0.116 0.000 1.384 639 N CA -0.190 52.907 53.050 0.078 0.000 2.168 639 N CB -2.061 36.455 38.487 0.048 0.000 1.187 639 N HN 0.109 nan 8.380 nan 0.000 0.846 640 F N 2.085 122.065 119.950 0.051 0.000 2.161 640 F HA 0.075 4.689 4.527 0.146 0.000 0.300 640 F C 1.811 177.664 175.800 0.089 0.000 1.089 640 F CA 1.891 59.939 58.000 0.080 0.000 1.282 640 F CB 0.014 39.095 39.000 0.134 0.000 1.010 640 F HN 0.073 nan 8.300 nan 0.000 0.485 641 V N 0.196 120.136 119.914 0.043 0.000 2.379 641 V HA -0.245 3.963 4.120 0.147 0.000 0.245 641 V C 2.364 178.390 176.094 -0.113 0.000 1.044 641 V CA 2.030 64.288 62.300 -0.070 0.000 1.036 641 V CB -0.713 31.165 31.823 0.092 0.000 0.664 641 V HN 0.398 nan 8.190 nan 0.000 0.453 642 E N -0.285 119.885 120.200 -0.050 0.000 2.110 642 E HA -0.255 4.183 4.350 0.147 0.000 0.193 642 E C 2.316 178.865 176.600 -0.086 0.000 0.988 642 E CA 1.127 57.498 56.400 -0.049 0.000 0.804 642 E CB 0.028 29.719 29.700 -0.014 0.000 0.745 642 E HN 0.505 nan 8.360 nan 0.000 0.458 643 Q N -0.083 119.646 119.800 -0.119 0.000 2.079 643 Q HA -0.102 4.326 4.340 0.147 0.000 0.200 643 Q C 2.280 178.163 176.000 -0.194 0.000 0.974 643 Q CA 1.764 57.488 55.803 -0.132 0.000 0.840 643 Q CB -0.610 28.062 28.738 -0.110 0.000 0.898 643 Q HN 0.303 nan 8.270 nan 0.000 0.430 644 T N 1.983 116.335 114.554 -0.337 0.000 2.746 644 T HA -0.082 4.356 4.350 0.147 0.000 0.267 644 T C 2.058 176.653 174.700 -0.175 0.000 1.039 644 T CA 0.887 62.794 62.100 -0.322 0.000 1.142 644 T CB -0.240 68.344 68.868 -0.473 0.000 0.866 644 T HN 0.171 nan 8.240 nan 0.000 0.444 645 L N 0.327 121.466 121.223 -0.141 0.000 2.083 645 L HA -0.090 4.338 4.340 0.147 0.000 0.209 645 L C 2.665 179.495 176.870 -0.067 0.000 1.083 645 L CA 1.354 56.142 54.840 -0.086 0.000 0.752 645 L CB -0.459 41.562 42.059 -0.064 0.000 0.899 645 L HN 0.232 nan 8.230 nan 0.000 0.433 646 K N -0.464 119.895 120.400 -0.068 0.000 2.062 646 K HA -0.149 4.259 4.320 0.147 0.000 0.205 646 K C 1.967 178.538 176.600 -0.047 0.000 1.051 646 K CA 1.346 57.604 56.287 -0.049 0.000 0.941 646 K CB 0.055 32.529 32.500 -0.044 0.000 0.719 646 K HN 0.371 nan 8.250 nan 0.000 0.440 647 Q N -0.644 119.120 119.800 -0.061 0.000 2.471 647 Q HA 0.101 4.529 4.340 0.147 0.000 0.259 647 Q C 0.296 176.266 176.000 -0.050 0.000 0.850 647 Q CA -0.215 55.559 55.803 -0.049 0.000 0.981 647 Q CB 1.105 29.815 28.738 -0.047 0.000 1.180 647 Q HN -0.010 nan 8.270 nan 0.000 0.571 648 S N -0.105 115.553 115.700 -0.070 0.000 2.549 648 S HA 0.200 4.758 4.470 0.147 0.000 0.283 648 S C 1.133 175.706 174.600 -0.045 0.000 1.320 648 S CA 0.167 58.330 58.200 -0.061 0.000 1.058 648 S CB 1.102 64.249 63.200 -0.087 0.000 0.882 648 S HN 0.414 nan 8.310 nan 0.000 0.498 649 G N 2.942 111.723 108.800 -0.032 0.000 2.396 649 G HA2 -0.044 4.004 3.960 0.147 0.000 0.214 649 G HA3 -0.044 4.004 3.960 0.147 0.000 0.214 649 G C 0.361 175.247 174.900 -0.024 0.000 1.166 649 G CA 0.237 45.323 45.100 -0.024 0.000 0.793 649 G HN 0.720 nan 8.290 nan 0.000 0.533 650 D N 0.502 120.886 120.400 -0.025 0.000 2.564 650 D HA 0.341 5.069 4.640 0.147 0.000 0.226 650 D C 1.536 177.816 176.300 -0.033 0.000 1.149 650 D CA -0.361 53.624 54.000 -0.024 0.000 0.994 650 D CB 0.927 41.713 40.800 -0.022 0.000 1.029 650 D HN -0.037 nan 8.370 nan 0.000 0.517 651 V N 3.309 123.201 119.914 -0.037 0.000 2.307 651 V HA -0.174 4.034 4.120 0.147 0.000 0.245 651 V C 2.505 178.576 176.094 -0.037 0.000 1.045 651 V CA 1.333 63.604 62.300 -0.049 0.000 1.024 651 V CB -0.368 31.425 31.823 -0.050 0.000 0.651 651 V HN 0.473 nan 8.190 nan 0.000 0.449 652 K N 0.406 120.791 120.400 -0.026 0.000 2.020 652 K HA -0.200 4.208 4.320 0.147 0.000 0.212 652 K C 2.093 178.683 176.600 -0.017 0.000 1.050 652 K CA 1.895 58.171 56.287 -0.019 0.000 0.929 652 K CB -0.678 31.815 32.500 -0.011 0.000 0.714 652 K HN 0.512 nan 8.250 nan 0.000 0.443 653 G N -0.226 108.564 108.800 -0.017 0.000 2.509 653 G HA2 -0.131 3.917 3.960 0.147 0.000 0.218 653 G HA3 -0.131 3.917 3.960 0.147 0.000 0.218 653 G C 1.334 176.227 174.900 -0.012 0.000 1.124 653 G CA 0.553 45.643 45.100 -0.016 0.000 0.776 653 G HN 0.211 nan 8.290 nan 0.000 0.547 654 V N 0.402 120.311 119.914 -0.009 0.000 2.426 654 V HA 0.075 4.283 4.120 0.147 0.000 0.242 654 V C 2.749 178.852 176.094 0.016 0.000 1.036 654 V CA 0.858 63.169 62.300 0.017 0.000 1.044 654 V CB -0.143 31.691 31.823 0.017 0.000 0.688 654 V HN 0.311 nan 8.190 nan 0.000 0.462 655 L N -0.447 120.766 121.223 -0.016 0.000 2.156 655 L HA -0.108 4.320 4.340 0.147 0.000 0.208 655 L C 2.477 179.324 176.870 -0.037 0.000 1.095 655 L CA 1.294 56.110 54.840 -0.041 0.000 0.770 655 L CB -0.512 41.518 42.059 -0.049 0.000 0.914 655 L HN 0.397 nan 8.230 nan 0.000 0.439 656 E N 0.262 120.452 120.200 -0.017 0.000 2.038 656 E HA -0.258 4.181 4.350 0.147 0.000 0.195 656 E C 2.343 178.946 176.600 0.006 0.000 1.000 656 E CA 1.950 58.349 56.400 -0.003 0.000 0.803 656 E CB -0.013 29.690 29.700 0.005 0.000 0.750 656 E HN 0.480 nan 8.360 nan 0.000 0.448 657 S N 0.661 116.364 115.700 0.005 0.000 2.359 657 S HA -0.188 4.370 4.470 0.147 0.000 0.224 657 S C 2.089 176.690 174.600 0.001 0.000 1.035 657 S CA 1.118 59.326 58.200 0.014 0.000 1.018 657 S CB -0.594 62.608 63.200 0.003 0.000 0.876 657 S HN 0.234 nan 8.310 nan 0.000 0.448 658 I N 1.482 122.033 120.570 -0.033 0.000 2.163 658 I HA -0.179 4.080 4.170 0.147 0.000 0.243 658 I C 3.063 179.141 176.117 -0.064 0.000 1.085 658 I CA 1.630 62.878 61.300 -0.087 0.000 1.347 658 I CB -0.594 37.277 38.000 -0.215 0.000 1.044 658 I HN 0.434 nan 8.210 nan 0.000 0.408 659 S N 0.184 115.850 115.700 -0.057 0.000 2.383 659 S HA -0.201 4.357 4.470 0.147 0.000 0.227 659 S C 1.687 176.304 174.600 0.028 0.000 1.026 659 S CA 1.518 59.706 58.200 -0.019 0.000 0.981 659 S CB -0.279 62.909 63.200 -0.019 0.000 0.818 659 S HN 0.352 nan 8.310 nan 0.000 0.472 660 D N 0.919 121.345 120.400 0.043 0.000 2.116 660 D HA -0.058 4.670 4.640 0.147 0.000 0.193 660 D C 2.211 178.568 176.300 0.094 0.000 0.998 660 D CA 1.350 55.399 54.000 0.082 0.000 0.836 660 D CB -0.572 40.295 40.800 0.112 0.000 0.951 660 D HN 0.338 nan 8.370 nan 0.000 0.449 661 S N -0.438 115.316 115.700 0.090 0.000 2.387 661 S HA 0.032 4.590 4.470 0.147 0.000 0.226 661 S C 1.976 176.690 174.600 0.191 0.000 1.026 661 S CA 0.413 58.700 58.200 0.145 0.000 0.972 661 S CB 0.116 63.368 63.200 0.088 0.000 0.814 661 S HN 0.239 nan 8.310 nan 0.000 0.477 662 L N 0.928 122.230 121.223 0.131 0.000 2.554 662 L HA 0.133 4.561 4.340 0.147 0.000 0.225 662 L C 1.919 178.855 176.870 0.109 0.000 1.104 662 L CA 0.631 55.563 54.840 0.153 0.000 0.866 662 L CB -0.052 42.090 42.059 0.138 0.000 1.047 662 L HN 0.367 nan 8.230 nan 0.000 0.468 663 S N -3.400 112.349 115.700 0.081 0.000 2.524 663 S HA 0.080 4.638 4.470 0.147 0.000 0.222 663 S C 1.238 175.872 174.600 0.056 0.000 1.040 663 S CA -0.276 57.962 58.200 0.063 0.000 0.915 663 S CB 0.379 63.610 63.200 0.052 0.000 0.831 663 S HN 0.094 nan 8.310 nan 0.000 0.492 664 S N 1.932 117.664 115.700 0.052 0.000 2.582 664 S HA 0.307 4.865 4.470 0.147 0.000 0.249 664 S C 0.043 174.604 174.600 -0.064 0.000 1.072 664 S CA -0.440 57.780 58.200 0.033 0.000 1.115 664 S CB -0.189 63.059 63.200 0.080 0.000 0.790 664 S HN 0.419 nan 8.310 nan 0.000 0.459 665 K N 3.687 124.050 120.400 -0.063 0.000 2.447 665 K HA 0.092 4.500 4.320 0.147 0.000 0.281 665 K C -2.363 174.024 176.600 -0.356 0.000 1.031 665 K CA -1.388 54.761 56.287 -0.231 0.000 1.019 665 K CB 0.442 32.852 32.500 -0.151 0.000 0.918 665 K HN 0.137 nan 8.250 nan 0.000 0.476 666 P HA 0.102 nan 4.420 nan 0.000 0.276 666 P C -0.679 176.366 177.300 -0.424 0.000 1.244 666 P CA -0.131 62.736 63.100 -0.388 0.000 0.801 666 P CB 0.803 32.195 31.700 -0.514 0.000 1.006 667 H N -1.454 117.540 119.070 -0.127 0.000 3.255 667 H HA 0.215 4.859 4.556 0.146 0.000 0.256 667 H C 0.774 176.080 175.328 -0.036 0.000 1.049 667 H CA -0.034 55.970 56.048 -0.074 0.000 1.202 667 H CB 0.450 30.172 29.762 -0.068 0.000 1.497 667 H HN 0.531 nan 8.280 nan 0.000 0.503 668 N N -1.986 116.753 118.700 0.065 0.000 3.344 668 N HA 0.001 4.829 4.740 0.147 0.000 0.296 668 N C -0.141 175.414 175.510 0.076 0.000 1.571 668 N CA -0.653 52.441 53.050 0.074 0.000 0.844 668 N CB 0.892 39.422 38.487 0.072 0.000 1.718 668 N HN -0.101 nan 8.380 nan 0.000 0.589 669 F N 1.065 120.995 119.950 -0.033 0.000 2.146 669 F HA 0.060 4.678 4.527 0.150 0.000 0.298 669 F C 2.174 177.932 175.800 -0.069 0.000 1.096 669 F CA 1.554 59.523 58.000 -0.050 0.000 1.275 669 F CB -0.199 38.765 39.000 -0.059 0.000 1.008 669 F HN 0.566 nan 8.300 nan 0.000 0.480 670 E N -0.221 119.938 120.200 -0.068 0.000 2.118 670 E HA -0.239 4.199 4.350 0.147 0.000 0.195 670 E C 1.759 178.264 176.600 -0.158 0.000 0.992 670 E CA 1.355 57.666 56.400 -0.148 0.000 0.804 670 E CB -0.341 29.324 29.700 -0.058 0.000 0.741 670 E HN 0.397 nan 8.360 nan 0.000 0.458 671 D N 0.410 120.748 120.400 -0.102 0.000 2.158 671 D HA -0.157 4.571 4.640 0.147 0.000 0.197 671 D C 1.959 178.197 176.300 -0.104 0.000 0.995 671 D CA 0.915 54.869 54.000 -0.076 0.000 0.846 671 D CB -0.412 40.365 40.800 -0.039 0.000 0.941 671 D HN 0.261 nan 8.370 nan 0.000 0.456 672 C N 0.227 119.394 119.300 -0.222 0.000 2.440 672 C HA 0.002 4.550 4.460 0.147 0.000 0.278 672 C C 2.822 177.711 174.990 -0.169 0.000 1.295 672 C CA -0.229 58.651 59.018 -0.231 0.000 1.738 672 C CB -0.955 26.534 27.740 -0.419 0.000 1.987 672 C HN 0.327 nan 8.230 nan 0.000 0.492 673 I N 1.053 121.410 120.570 -0.355 0.000 2.142 673 I HA -0.228 4.030 4.170 0.147 0.000 0.240 673 I C 2.563 178.646 176.117 -0.058 0.000 1.078 673 I CA 1.560 62.735 61.300 -0.208 0.000 1.343 673 I CB -0.501 37.315 38.000 -0.307 0.000 1.046 673 I HN 0.285 nan 8.210 nan 0.000 0.405 674 K N 0.128 120.491 120.400 -0.060 0.000 2.032 674 K HA -0.308 4.100 4.320 0.147 0.000 0.218 674 K C 1.826 178.442 176.600 0.028 0.000 1.054 674 K CA 2.679 58.955 56.287 -0.019 0.000 0.941 674 K CB -0.565 31.930 32.500 -0.008 0.000 0.720 674 K HN 0.364 nan 8.250 nan 0.000 0.449 675 W N 0.751 121.984 121.300 -0.111 0.000 2.317 675 W HA -0.306 4.452 4.660 0.163 0.000 0.318 675 W C 2.174 178.669 176.519 -0.040 0.000 1.227 675 W CA 2.608 59.898 57.345 -0.090 0.000 1.269 675 W CB -0.619 28.763 29.460 -0.130 0.000 1.155 675 W HN 0.171 nan 8.180 nan 0.000 0.484 676 A N 0.290 123.162 122.820 0.086 0.000 1.933 676 A HA -0.198 4.210 4.320 0.147 0.000 0.218 676 A C 1.932 179.538 177.584 0.037 0.000 1.175 676 A CA 2.106 54.123 52.037 -0.033 0.000 0.628 676 A CB -0.857 18.272 19.000 0.214 0.000 0.814 676 A HN 0.369 nan 8.150 nan 0.000 0.444 677 R N 0.083 120.553 120.500 -0.050 0.000 2.090 677 R HA 0.075 4.503 4.340 0.147 0.000 0.228 677 R C 1.728 177.945 176.300 -0.138 0.000 1.110 677 R CA 1.416 57.407 56.100 -0.181 0.000 0.973 677 R CB -0.718 29.401 30.300 -0.302 0.000 0.869 677 R HN 0.487 nan 8.270 nan 0.000 0.440 678 L N 0.248 121.371 121.223 -0.167 0.000 2.109 678 L HA -0.050 4.378 4.340 0.147 0.000 0.207 678 L C 2.150 178.890 176.870 -0.217 0.000 1.086 678 L CA 0.981 55.711 54.840 -0.182 0.000 0.760 678 L CB -0.433 41.520 42.059 -0.177 0.000 0.910 678 L HN 0.210 nan 8.230 nan 0.000 0.437 679 E N -0.030 119.981 120.200 -0.316 0.000 2.072 679 E HA -0.231 4.207 4.350 0.147 0.000 0.191 679 E C 1.977 178.524 176.600 -0.088 0.000 0.985 679 E CA 1.155 57.394 56.400 -0.268 0.000 0.801 679 E CB -0.357 29.022 29.700 -0.535 0.000 0.750 679 E HN 0.384 nan 8.360 nan 0.000 0.452 680 F N 2.209 122.107 119.950 -0.087 0.000 2.091 680 F HA -0.290 4.301 4.527 0.106 0.000 0.299 680 F C 2.425 178.134 175.800 -0.152 0.000 1.103 680 F CA 2.110 60.014 58.000 -0.160 0.000 1.228 680 F CB 0.045 39.031 39.000 -0.023 0.000 0.984 680 F HN -0.016 nan 8.300 nan 0.000 0.477 681 E N 0.574 120.840 120.200 0.110 0.000 2.118 681 E HA -0.205 4.233 4.350 0.147 0.000 0.195 681 E C 2.055 178.471 176.600 -0.307 0.000 0.992 681 E CA 1.689 58.052 56.400 -0.062 0.000 0.804 681 E CB -0.155 29.459 29.700 -0.144 0.000 0.741 681 E HN 0.439 nan 8.360 nan 0.000 0.458 682 K N -0.106 120.106 120.400 -0.313 0.000 2.001 682 K HA -0.081 4.327 4.320 0.147 0.000 0.208 682 K C 2.074 178.546 176.600 -0.213 0.000 1.048 682 K CA 1.402 57.551 56.287 -0.230 0.000 0.932 682 K CB -0.043 32.367 32.500 -0.150 0.000 0.715 682 K HN -0.006 nan 8.250 nan 0.000 0.437 683 K N 0.035 120.179 120.400 -0.426 0.000 2.116 683 K HA -0.035 4.373 4.320 0.147 0.000 0.203 683 K C 1.848 178.042 176.600 -0.678 0.000 1.052 683 K CA 1.264 57.208 56.287 -0.571 0.000 0.952 683 K CB 0.042 32.019 32.500 -0.873 0.000 0.729 683 K HN 0.204 nan 8.250 nan 0.000 0.446 684 F N -0.275 119.456 119.950 -0.365 0.000 2.704 684 F HA 0.186 4.791 4.527 0.130 0.000 0.304 684 F C 1.785 177.373 175.800 -0.354 0.000 1.094 684 F CA -0.339 57.370 58.000 -0.486 0.000 1.275 684 F CB 0.173 38.601 39.000 -0.954 0.000 1.073 684 F HN 0.036 nan 8.300 nan 0.000 0.586 685 N N -1.049 117.578 118.700 -0.123 0.000 2.905 685 N HA -0.018 4.810 4.740 0.147 0.000 0.237 685 N C 1.688 177.198 175.510 -0.000 0.000 1.017 685 N CA 0.412 53.452 53.050 -0.018 0.000 1.127 685 N CB -0.162 38.388 38.487 0.104 0.000 1.608 685 N HN -0.138 nan 8.380 nan 0.000 0.522 686 H N 0.835 119.843 119.070 -0.104 0.000 2.293 686 H HA 0.010 4.616 4.556 0.083 0.000 0.300 686 H C 0.951 176.226 175.328 -0.088 0.000 1.082 686 H CA 1.621 57.646 56.048 -0.038 0.000 1.308 686 H CB -0.359 29.500 29.762 0.161 0.000 1.375 686 H HN 0.343 nan 8.280 nan 0.000 0.495 687 D N 0.033 120.491 120.400 0.097 0.000 2.144 687 D HA -0.110 4.618 4.640 0.147 0.000 0.199 687 D C 2.180 178.486 176.300 0.011 0.000 0.984 687 D CA 0.530 54.574 54.000 0.073 0.000 0.834 687 D CB -0.031 40.809 40.800 0.067 0.000 0.955 687 D HN 0.246 nan 8.370 nan 0.000 0.465 688 I N 1.033 121.565 120.570 -0.064 0.000 2.315 688 I HA -0.169 4.089 4.170 0.147 0.000 0.248 688 I C 2.113 178.139 176.117 -0.151 0.000 1.117 688 I CA 1.000 62.241 61.300 -0.099 0.000 1.404 688 I CB -0.601 37.303 38.000 -0.161 0.000 1.071 688 I HN 0.002 nan 8.210 nan 0.000 0.419 689 K N 0.139 120.339 120.400 -0.333 0.000 2.103 689 K HA -0.212 4.196 4.320 0.147 0.000 0.204 689 K C 2.087 178.476 176.600 -0.351 0.000 1.052 689 K CA 0.966 56.904 56.287 -0.582 0.000 0.945 689 K CB -0.043 31.621 32.500 -1.394 0.000 0.722 689 K HN 0.128 nan 8.250 nan 0.000 0.443 690 Q N 1.360 121.073 119.800 -0.144 0.000 2.050 690 Q HA -0.147 4.281 4.340 0.147 0.000 0.202 690 Q C 1.928 178.063 176.000 0.225 0.000 0.980 690 Q CA 1.273 57.219 55.803 0.238 0.000 0.840 690 Q CB -0.334 28.567 28.738 0.272 0.000 0.898 690 Q HN 0.185 nan 8.270 nan 0.000 0.424 691 L N -0.206 121.121 121.223 0.173 0.000 2.079 691 L HA -0.096 4.332 4.340 0.147 0.000 0.210 691 L C 1.880 178.950 176.870 0.334 0.000 1.081 691 L CA 1.719 56.723 54.840 0.274 0.000 0.752 691 L CB -0.483 41.764 42.059 0.314 0.000 0.896 691 L HN 0.384 nan 8.230 nan 0.000 0.433 692 L N -1.929 119.424 121.223 0.217 0.000 2.395 692 L HA -0.142 4.286 4.340 0.147 0.000 0.218 692 L C 2.230 179.212 176.870 0.186 0.000 1.130 692 L CA 0.447 55.405 54.840 0.197 0.000 0.826 692 L CB -0.488 41.594 42.059 0.040 0.000 0.941 692 L HN 0.298 nan 8.230 nan 0.000 0.451 693 F N 1.157 121.131 119.950 0.039 0.000 2.128 693 F HA -0.152 4.464 4.527 0.150 0.000 0.295 693 F C 2.312 178.070 175.800 -0.070 0.000 1.100 693 F CA 1.549 59.566 58.000 0.027 0.000 1.260 693 F CB -0.263 38.795 39.000 0.097 0.000 1.009 693 F HN 0.100 nan 8.300 nan 0.000 0.476 694 N N -0.598 117.952 118.700 -0.251 0.000 2.106 694 N HA -0.149 4.679 4.740 0.147 0.000 0.188 694 N C -0.293 174.742 175.510 -0.791 0.000 1.029 694 N CA 1.070 53.703 53.050 -0.695 0.000 0.848 694 N CB -0.210 37.705 38.487 -0.953 0.000 1.007 694 N HN 0.164 nan 8.380 nan 0.000 0.423 695 F N 1.282 121.224 119.950 -0.013 0.000 2.451 695 F HA 0.456 5.070 4.527 0.145 0.000 0.367 695 F C -2.378 173.623 175.800 0.335 0.000 1.100 695 F CA -2.684 55.294 58.000 -0.035 0.000 1.171 695 F CB 1.280 40.136 39.000 -0.239 0.000 1.405 695 F HN -0.188 nan 8.300 nan 0.000 0.482 696 P HA 0.164 nan 4.420 nan 0.000 0.274 696 P C 0.863 178.374 177.300 0.351 0.000 1.237 696 P CA -0.421 62.822 63.100 0.239 0.000 0.793 696 P CB 1.156 32.914 31.700 0.098 0.000 0.977 697 K N 1.121 121.610 120.400 0.149 0.000 2.127 697 K HA -0.192 4.216 4.320 0.147 0.000 0.208 697 K C 1.104 177.845 176.600 0.235 0.000 1.047 697 K CA 1.984 58.307 56.287 0.060 0.000 0.927 697 K CB -0.361 32.093 32.500 -0.077 0.000 0.716 697 K HN 0.657 nan 8.250 nan 0.000 0.450 698 D N -0.188 120.319 120.400 0.178 0.000 2.340 698 D HA 0.027 4.755 4.640 0.147 0.000 0.220 698 D C 0.300 176.700 176.300 0.168 0.000 1.039 698 D CA -0.046 54.042 54.000 0.147 0.000 0.866 698 D CB -0.059 40.790 40.800 0.081 0.000 0.913 698 D HN 0.016 nan 8.370 nan 0.000 0.523 699 A N 0.673 123.633 122.820 0.234 0.000 2.466 699 A HA 0.331 4.739 4.320 0.147 0.000 0.238 699 A C 0.169 177.855 177.584 0.170 0.000 1.074 699 A CA 0.076 52.212 52.037 0.165 0.000 0.774 699 A CB 0.344 19.416 19.000 0.119 0.000 1.015 699 A HN 0.163 nan 8.150 nan 0.000 0.498 700 K N 0.371 120.834 120.400 0.106 0.000 2.464 700 K HA 0.473 4.881 4.320 0.147 0.000 0.253 700 K C -0.589 176.058 176.600 0.078 0.000 0.933 700 K CA -0.565 55.778 56.287 0.093 0.000 0.801 700 K CB 2.242 34.778 32.500 0.060 0.000 1.271 700 K HN 0.731 nan 8.250 nan 0.000 0.430 701 T N 0.236 114.833 114.554 0.072 0.000 2.770 701 T HA 0.026 4.464 4.350 0.147 0.000 0.281 701 T C 1.409 176.124 174.700 0.025 0.000 0.981 701 T CA -0.542 61.589 62.100 0.051 0.000 0.955 701 T CB 0.846 69.727 68.868 0.021 0.000 1.060 701 T HN 0.557 nan 8.240 nan 0.000 0.531 702 S N 2.323 118.031 115.700 0.015 0.000 2.372 702 S HA -0.207 4.351 4.470 0.147 0.000 0.227 702 S C 1.955 176.557 174.600 0.003 0.000 1.044 702 S CA 1.687 59.891 58.200 0.006 0.000 1.050 702 S CB -0.604 62.597 63.200 0.001 0.000 0.901 702 S HN 0.865 nan 8.310 nan 0.000 0.447 703 N N 1.406 120.104 118.700 -0.002 0.000 2.550 703 N HA 0.074 4.902 4.740 0.147 0.000 0.186 703 N C 1.225 176.735 175.510 0.000 0.000 1.110 703 N CA 1.148 54.195 53.050 -0.005 0.000 0.912 703 N CB -0.677 37.802 38.487 -0.013 0.000 0.968 703 N HN 0.554 nan 8.380 nan 0.000 0.448 704 G N -0.499 108.306 108.800 0.007 0.000 2.258 704 G HA2 -0.295 3.753 3.960 0.147 0.000 0.233 704 G HA3 -0.295 3.753 3.960 0.147 0.000 0.233 704 G C -0.146 174.764 174.900 0.016 0.000 1.006 704 G CA 0.132 45.239 45.100 0.012 0.000 0.620 704 G HN 0.436 nan 8.290 nan 0.000 0.511 705 E N 2.848 123.053 120.200 0.008 0.000 2.502 705 E HA 0.341 4.779 4.350 0.147 0.000 0.261 705 E C -1.709 174.904 176.600 0.021 0.000 0.974 705 E CA -1.405 54.999 56.400 0.006 0.000 0.936 705 E CB 0.480 30.171 29.700 -0.016 0.000 0.926 705 E HN 0.361 nan 8.360 nan 0.000 0.459 706 P HA -0.103 nan 4.420 nan 0.000 0.266 706 P C 0.358 177.686 177.300 0.047 0.000 1.195 706 P CA 0.201 63.349 63.100 0.079 0.000 0.768 706 P CB 0.415 32.169 31.700 0.090 0.000 0.838 707 F N 2.380 122.276 119.950 -0.091 0.000 2.206 707 F HA 0.047 4.661 4.527 0.145 0.000 0.298 707 F C 0.476 176.016 175.800 -0.433 0.000 1.090 707 F CA 0.564 58.374 58.000 -0.317 0.000 1.323 707 F CB -0.119 38.632 39.000 -0.416 0.000 1.028 707 F HN 0.220 nan 8.300 nan 0.000 0.492 708 W N 2.368 123.669 121.300 0.002 0.000 2.292 708 W HA 0.434 5.187 4.660 0.154 0.000 0.352 708 W C -0.131 176.332 176.519 -0.093 0.000 0.962 708 W CA -0.133 57.167 57.345 -0.076 0.000 1.496 708 W CB 0.272 29.788 29.460 0.093 0.000 1.381 708 W HN 0.001 nan 8.180 nan 0.000 0.363 709 S N 1.182 116.873 115.700 -0.016 0.000 2.588 709 S HA 0.830 5.388 4.470 0.147 0.000 0.269 709 S C 0.371 174.932 174.600 -0.065 0.000 1.157 709 S CA -0.315 57.880 58.200 -0.008 0.000 0.824 709 S CB 1.131 64.316 63.200 -0.025 0.000 1.126 709 S HN 1.210 nan 8.310 nan 0.000 0.464 710 G N 1.831 110.623 108.800 -0.013 0.000 2.622 710 G HA2 -0.089 3.959 3.960 0.147 0.000 0.307 710 G HA3 -0.089 3.959 3.960 0.147 0.000 0.307 710 G C 1.187 176.081 174.900 -0.009 0.000 1.226 710 G CA 1.313 46.404 45.100 -0.015 0.000 0.997 710 G HN 2.096 nan 8.290 nan 0.000 0.551 711 A N 0.029 122.816 122.820 -0.056 0.000 2.121 711 A HA 0.215 4.623 4.320 0.147 0.000 0.218 711 A C 1.371 178.945 177.584 -0.017 0.000 1.154 711 A CA 2.064 54.085 52.037 -0.026 0.000 0.679 711 A CB -0.201 18.763 19.000 -0.060 0.000 0.795 711 A HN 0.550 nan 8.150 nan 0.000 0.458 712 K N 1.195 121.515 120.400 -0.133 0.000 2.267 712 K HA 0.359 4.767 4.320 0.147 0.000 0.282 712 K C -0.827 175.992 176.600 0.364 0.000 1.078 712 K CA -0.133 56.111 56.287 -0.072 0.000 0.903 712 K CB 0.947 32.963 32.500 -0.806 0.000 1.111 712 K HN 0.297 nan 8.250 nan 0.000 0.475 713 R N 1.621 122.473 120.500 0.587 0.000 2.295 713 R HA 0.292 4.720 4.340 0.147 0.000 0.324 713 R C -0.388 176.133 176.300 0.368 0.000 0.968 713 R CA -0.683 55.699 56.100 0.470 0.000 0.837 713 R CB 1.623 32.164 30.300 0.402 0.000 1.133 713 R HN 0.585 nan 8.270 nan 0.000 0.450 714 A N 5.980 128.758 122.820 -0.069 0.000 2.515 714 A HA 0.191 4.599 4.320 0.147 0.000 0.263 714 A C -1.859 175.448 177.584 -0.462 0.000 1.096 714 A CA -0.841 50.691 52.037 -0.842 0.000 0.769 714 A CB -0.396 18.111 19.000 -0.823 0.000 1.040 714 A HN 0.444 nan 8.150 nan 0.000 0.505 715 P HA 0.379 nan 4.420 nan 0.000 0.278 715 P C -0.486 176.629 177.300 -0.309 0.000 1.258 715 P CA -0.172 62.570 63.100 -0.596 0.000 0.811 715 P CB 1.133 32.245 31.700 -0.979 0.000 1.063 716 T N 1.822 116.241 114.554 -0.226 0.000 2.824 716 T HA 0.423 4.861 4.350 0.147 0.000 0.282 716 T C -2.567 172.025 174.700 -0.179 0.000 0.993 716 T CA -1.607 60.413 62.100 -0.133 0.000 0.967 716 T CB 0.919 69.795 68.868 0.013 0.000 0.960 716 T HN 0.250 nan 8.240 nan 0.000 0.441 717 P HA 0.112 nan 4.420 nan 0.000 0.264 717 P C -0.808 176.456 177.300 -0.060 0.000 1.183 717 P CA -0.474 62.563 63.100 -0.105 0.000 0.763 717 P CB 0.342 31.991 31.700 -0.086 0.000 0.807 718 L N 3.708 124.904 121.223 -0.045 0.000 2.312 718 L HA 0.231 4.659 4.340 0.147 0.000 0.281 718 L C 0.800 177.771 176.870 0.168 0.000 1.070 718 L CA 0.105 54.961 54.840 0.027 0.000 0.805 718 L CB 0.155 42.167 42.059 -0.079 0.000 1.174 718 L HN 0.362 nan 8.230 nan 0.000 0.434 719 E N 3.259 123.578 120.200 0.198 0.000 2.081 719 E HA 0.163 4.602 4.350 0.147 0.000 0.281 719 E C -0.748 176.038 176.600 0.309 0.000 0.986 719 E CA -0.580 55.962 56.400 0.236 0.000 0.796 719 E CB 0.713 30.507 29.700 0.157 0.000 1.085 719 E HN 0.297 nan 8.360 nan 0.000 0.398 720 F N 3.433 123.496 119.950 0.187 0.000 2.623 720 F HA -0.086 4.513 4.527 0.121 0.000 0.386 720 F C 0.231 176.093 175.800 0.102 0.000 1.068 720 F CA 0.787 58.761 58.000 -0.044 0.000 1.265 720 F CB 0.432 39.217 39.000 -0.359 0.000 1.026 720 F HN 0.333 nan 8.300 nan 0.000 0.568 721 D N 6.393 126.450 120.400 -0.571 0.000 2.386 721 D HA 0.083 4.811 4.640 0.147 0.000 0.247 721 D C 0.553 176.438 176.300 -0.692 0.000 1.336 721 D CA -0.443 53.314 54.000 -0.404 0.000 0.976 721 D CB 0.800 41.485 40.800 -0.192 0.000 1.257 721 D HN 0.566 nan 8.370 nan 0.000 0.570 722 I N 3.473 123.706 120.570 -0.561 0.000 2.502 722 I HA -0.221 4.037 4.170 0.147 0.000 0.258 722 I C 0.840 176.618 176.117 -0.566 0.000 1.172 722 I CA 1.553 62.577 61.300 -0.459 0.000 1.430 722 I CB -0.056 37.782 38.000 -0.269 0.000 1.086 722 I HN 0.450 nan 8.210 nan 0.000 0.440 723 Y N -0.744 119.384 120.300 -0.287 0.000 2.517 723 Y HA 0.086 4.722 4.550 0.143 0.000 0.281 723 Y C 1.217 176.941 175.900 -0.294 0.000 1.125 723 Y CA -0.039 57.887 58.100 -0.290 0.000 1.283 723 Y CB -0.420 37.912 38.460 -0.214 0.000 1.042 723 Y HN 0.085 nan 8.280 nan 0.000 0.547 724 N N 1.786 120.320 118.700 -0.276 0.000 2.431 724 N HA -0.106 4.722 4.740 0.147 0.000 0.265 724 N C 0.776 176.179 175.510 -0.179 0.000 1.184 724 N CA 0.187 53.012 53.050 -0.375 0.000 0.943 724 N CB 0.460 38.355 38.487 -0.986 0.000 1.080 724 N HN 0.261 nan 8.380 nan 0.000 0.477 725 N N 3.474 122.142 118.700 -0.052 0.000 2.192 725 N HA -0.170 4.658 4.740 0.147 0.000 0.188 725 N C 0.495 176.148 175.510 0.239 0.000 1.013 725 N CA 1.548 54.666 53.050 0.113 0.000 0.863 725 N CB 0.211 38.787 38.487 0.148 0.000 0.990 725 N HN 0.537 nan 8.380 nan 0.000 0.430 726 D N -1.475 119.031 120.400 0.176 0.000 2.183 726 D HA -0.040 4.689 4.640 0.147 0.000 0.205 726 D C 1.546 178.070 176.300 0.374 0.000 0.962 726 D CA 0.721 54.877 54.000 0.260 0.000 0.849 726 D CB -0.352 40.557 40.800 0.182 0.000 0.978 726 D HN 0.580 nan 8.370 nan 0.000 0.488 727 H N -0.281 118.839 119.070 0.084 0.000 2.276 727 H HA -0.107 4.539 4.556 0.149 0.000 0.301 727 H C 2.040 177.468 175.328 0.165 0.000 1.073 727 H CA 0.696 56.763 56.048 0.032 0.000 1.311 727 H CB -0.184 29.240 29.762 -0.564 0.000 1.379 727 H HN 0.033 nan 8.280 nan 0.000 0.494 728 F N 1.863 121.814 119.950 0.001 0.000 2.063 728 F HA -0.305 4.307 4.527 0.142 0.000 0.298 728 F C 2.539 178.337 175.800 -0.003 0.000 1.109 728 F CA 1.743 59.699 58.000 -0.074 0.000 1.212 728 F CB -0.526 38.299 39.000 -0.290 0.000 0.973 728 F HN 0.233 nan 8.300 nan 0.000 0.480 729 H N -1.483 117.632 119.070 0.074 0.000 2.462 729 H HA -0.115 4.529 4.556 0.147 0.000 0.292 729 H C 2.177 177.581 175.328 0.128 0.000 1.049 729 H CA 1.350 57.391 56.048 -0.011 0.000 1.334 729 H CB -0.873 28.957 29.762 0.113 0.000 1.404 729 H HN 0.417 nan 8.280 nan 0.000 0.544 730 F N 1.088 121.183 119.950 0.243 0.000 2.095 730 F HA -0.225 4.397 4.527 0.159 0.000 0.298 730 F C 2.273 178.283 175.800 0.350 0.000 1.104 730 F CA 1.072 59.250 58.000 0.297 0.000 1.232 730 F CB -0.343 38.897 39.000 0.401 0.000 0.987 730 F HN -0.146 nan 8.300 nan 0.000 0.475 731 V N -0.645 119.526 119.914 0.429 0.000 2.379 731 V HA -0.248 3.960 4.120 0.147 0.000 0.245 731 V C 2.311 178.487 176.094 0.137 0.000 1.044 731 V CA 1.505 63.973 62.300 0.281 0.000 1.036 731 V CB -0.504 31.482 31.823 0.272 0.000 0.664 731 V HN 0.259 nan 8.190 nan 0.000 0.453 732 V N 0.371 120.218 119.914 -0.112 0.000 2.261 732 V HA -0.246 3.962 4.120 0.147 0.000 0.246 732 V C 2.691 178.821 176.094 0.059 0.000 1.047 732 V CA 2.175 64.390 62.300 -0.143 0.000 1.015 732 V CB -1.069 30.448 31.823 -0.511 0.000 0.642 732 V HN 0.553 nan 8.190 nan 0.000 0.446 733 A N 0.302 123.193 122.820 0.118 0.000 1.898 733 A HA -0.021 4.387 4.320 0.147 0.000 0.216 733 A C 2.395 180.037 177.584 0.097 0.000 1.181 733 A CA 1.767 53.900 52.037 0.161 0.000 0.620 733 A CB -1.152 18.079 19.000 0.385 0.000 0.819 733 A HN 0.525 nan 8.150 nan 0.000 0.442 734 G N -0.423 108.498 108.800 0.201 0.000 2.418 734 G HA2 0.023 4.071 3.960 0.147 0.000 0.217 734 G HA3 0.023 4.071 3.960 0.147 0.000 0.217 734 G C 1.742 176.750 174.900 0.180 0.000 1.158 734 G CA 1.417 46.647 45.100 0.217 0.000 0.771 734 G HN 0.749 nan 8.290 nan 0.000 0.545 735 A N 0.804 123.703 122.820 0.131 0.000 1.877 735 A HA 0.014 4.422 4.320 0.147 0.000 0.216 735 A C 2.705 180.299 177.584 0.017 0.000 1.186 735 A CA 2.284 54.308 52.037 -0.022 0.000 0.620 735 A CB -0.683 18.207 19.000 -0.182 0.000 0.822 735 A HN 0.303 nan 8.150 nan 0.000 0.443 736 S N -0.255 115.512 115.700 0.111 0.000 2.383 736 S HA -0.050 4.508 4.470 0.147 0.000 0.227 736 S C 1.805 176.388 174.600 -0.028 0.000 1.026 736 S CA 1.327 59.585 58.200 0.096 0.000 0.981 736 S CB -0.395 62.570 63.200 -0.392 0.000 0.818 736 S HN 0.480 nan 8.310 nan 0.000 0.472 737 L N 0.692 121.773 121.223 -0.236 0.000 2.072 737 L HA -0.039 4.389 4.340 0.147 0.000 0.205 737 L C 2.647 179.391 176.870 -0.210 0.000 1.079 737 L CA 1.078 55.644 54.840 -0.457 0.000 0.752 737 L CB -0.346 40.872 42.059 -1.403 0.000 0.906 737 L HN 0.183 nan 8.230 nan 0.000 0.436 738 R N 0.698 121.123 120.500 -0.125 0.000 2.080 738 R HA -0.173 4.255 4.340 0.147 0.000 0.236 738 R C 2.272 178.616 176.300 0.072 0.000 1.137 738 R CA 1.778 57.836 56.100 -0.069 0.000 0.943 738 R CB -0.609 29.494 30.300 -0.328 0.000 0.846 738 R HN 0.303 nan 8.270 nan 0.000 0.431 739 A N -0.651 122.220 122.820 0.085 0.000 1.978 739 A HA -0.224 4.184 4.320 0.147 0.000 0.220 739 A C 2.162 179.868 177.584 0.203 0.000 1.170 739 A CA 1.634 53.782 52.037 0.185 0.000 0.636 739 A CB -0.940 18.286 19.000 0.377 0.000 0.810 739 A HN 0.657 nan 8.150 nan 0.000 0.448 740 Y N 0.747 121.079 120.300 0.053 0.000 2.184 740 Y HA -0.176 4.462 4.550 0.146 0.000 0.290 740 Y C 2.143 178.039 175.900 -0.006 0.000 1.129 740 Y CA 1.989 60.103 58.100 0.025 0.000 1.144 740 Y CB -0.506 37.957 38.460 0.005 0.000 0.995 740 Y HN 0.441 nan 8.280 nan 0.000 0.513 741 N N -1.246 117.529 118.700 0.124 0.000 2.137 741 N HA -0.256 4.572 4.740 0.147 0.000 0.190 741 N C 0.644 175.963 175.510 -0.318 0.000 1.017 741 N CA 1.594 54.585 53.050 -0.099 0.000 0.859 741 N CB -0.292 38.156 38.487 -0.064 0.000 1.002 741 N HN 0.388 nan 8.380 nan 0.000 0.428 742 Y N -0.637 119.601 120.300 -0.104 0.000 2.485 742 Y HA 0.261 4.900 4.550 0.148 0.000 0.260 742 Y C 1.392 177.284 175.900 -0.013 0.000 1.173 742 Y CA -0.104 57.972 58.100 -0.040 0.000 1.252 742 Y CB 0.770 39.221 38.460 -0.015 0.000 1.123 742 Y HN 0.019 nan 8.280 nan 0.000 0.524 743 G N 1.365 110.166 108.800 0.001 0.000 2.176 743 G HA2 -0.301 3.747 3.960 0.147 0.000 0.252 743 G HA3 -0.301 3.747 3.960 0.147 0.000 0.252 743 G C -0.162 174.764 174.900 0.042 0.000 1.024 743 G CA 0.006 45.092 45.100 -0.024 0.000 0.755 743 G HN 0.355 nan 8.290 nan 0.000 0.507 744 I N 0.230 120.851 120.570 0.085 0.000 2.321 744 I HA 0.278 4.536 4.170 0.147 0.000 0.291 744 I C 0.796 176.978 176.117 0.109 0.000 0.998 744 I CA -0.805 60.559 61.300 0.106 0.000 1.227 744 I CB 1.426 39.511 38.000 0.141 0.000 1.368 744 I HN -0.009 nan 8.210 nan 0.000 0.466 745 K N 4.812 125.250 120.400 0.062 0.000 2.472 745 K HA 0.056 4.464 4.320 0.147 0.000 0.280 745 K C 0.470 177.049 176.600 -0.036 0.000 1.028 745 K CA -0.026 56.273 56.287 0.020 0.000 1.045 745 K CB 0.533 33.033 32.500 0.000 0.000 0.902 745 K HN 0.759 nan 8.250 nan 0.000 0.478 746 S N 2.524 118.136 115.700 -0.147 0.000 2.593 746 S HA 0.063 4.621 4.470 0.147 0.000 0.269 746 S C 0.349 174.542 174.600 -0.678 0.000 1.334 746 S CA -0.492 57.325 58.200 -0.638 0.000 1.015 746 S CB 1.034 63.901 63.200 -0.555 0.000 0.912 746 S HN 0.566 nan 8.310 nan 0.000 0.541 747 D N 0.178 119.874 120.400 -1.173 0.000 2.354 747 D HA 0.111 4.839 4.640 0.147 0.000 0.209 747 D C -0.574 175.549 176.300 -0.294 0.000 1.015 747 D CA 0.301 53.999 54.000 -0.504 0.000 0.867 747 D CB -0.213 40.426 40.800 -0.268 0.000 0.933 747 D HN 0.572 nan 8.370 nan 0.000 0.520 748 D N 1.089 121.292 120.400 -0.328 0.000 2.412 748 D HA 0.022 4.751 4.640 0.147 0.000 0.257 748 D C 0.405 176.684 176.300 -0.036 0.000 1.217 748 D CA 0.273 54.241 54.000 -0.052 0.000 0.897 748 D CB 0.575 41.400 40.800 0.041 0.000 1.132 748 D HN -0.036 nan 8.370 nan 0.000 0.493 749 S N 2.087 117.792 115.700 0.009 0.000 2.525 749 S HA 0.230 4.788 4.470 0.147 0.000 0.278 749 S C 0.525 175.144 174.600 0.032 0.000 1.234 749 S CA -0.990 57.216 58.200 0.011 0.000 1.058 749 S CB 0.965 64.173 63.200 0.013 0.000 0.983 749 S HN 0.374 nan 8.310 nan 0.000 0.495 750 N N 1.724 120.439 118.700 0.025 0.000 2.701 750 N HA -0.233 4.595 4.740 0.147 0.000 0.250 750 N C 0.535 176.071 175.510 0.043 0.000 1.046 750 N CA 1.226 54.293 53.050 0.029 0.000 0.733 750 N CB -2.094 36.410 38.487 0.027 0.000 0.973 750 N HN 1.480 nan 8.380 nan 0.000 0.541 751 S N -3.224 112.511 115.700 0.058 0.000 3.420 751 S HA -0.318 4.240 4.470 0.147 0.000 0.367 751 S C 0.050 174.721 174.600 0.120 0.000 1.063 751 S CA 1.432 59.693 58.200 0.101 0.000 1.073 751 S CB -1.453 61.794 63.200 0.077 0.000 0.905 751 S HN 0.557 nan 8.310 nan 0.000 0.485 752 K N 2.258 122.723 120.400 0.110 0.000 2.248 752 K HA 0.391 4.799 4.320 0.147 0.000 0.281 752 K C -2.508 174.193 176.600 0.169 0.000 1.054 752 K CA -2.166 54.202 56.287 0.135 0.000 0.903 752 K CB 0.821 33.386 32.500 0.108 0.000 1.077 752 K HN 0.225 nan 8.250 nan 0.000 0.474 753 P HA -0.052 nan 4.420 nan 0.000 0.267 753 P C -0.763 176.727 177.300 0.315 0.000 1.209 753 P CA -0.204 63.064 63.100 0.280 0.000 0.763 753 P CB 0.423 32.203 31.700 0.134 0.000 0.816 754 N N 3.501 122.417 118.700 0.361 0.000 2.415 754 N HA 0.020 4.848 4.740 0.147 0.000 0.250 754 N C 1.039 176.792 175.510 0.406 0.000 1.127 754 N CA 0.004 53.227 53.050 0.290 0.000 0.945 754 N CB -0.060 38.542 38.487 0.191 0.000 1.196 754 N HN -0.016 nan 8.380 nan 0.000 0.499 755 V N 2.720 122.823 119.914 0.315 0.000 2.407 755 V HA -0.217 3.991 4.120 0.147 0.000 0.248 755 V C 1.529 177.781 176.094 0.263 0.000 1.055 755 V CA 1.622 64.103 62.300 0.301 0.000 1.049 755 V CB -0.474 31.394 31.823 0.076 0.000 0.662 755 V HN 0.570 nan 8.190 nan 0.000 0.455 756 D N -0.040 120.472 120.400 0.187 0.000 2.104 756 D HA -0.210 4.518 4.640 0.147 0.000 0.194 756 D C 2.149 178.545 176.300 0.160 0.000 0.994 756 D CA 1.779 55.867 54.000 0.147 0.000 0.830 756 D CB -0.197 40.668 40.800 0.109 0.000 0.959 756 D HN 0.706 nan 8.370 nan 0.000 0.452 757 E N -0.280 120.020 120.200 0.167 0.000 2.038 757 E HA -0.243 4.195 4.350 0.147 0.000 0.195 757 E C 2.046 178.702 176.600 0.094 0.000 1.000 757 E CA 1.288 57.747 56.400 0.098 0.000 0.803 757 E CB -0.536 29.199 29.700 0.059 0.000 0.750 757 E HN 0.374 nan 8.360 nan 0.000 0.448 758 Y N 0.840 121.238 120.300 0.164 0.000 2.181 758 Y HA -0.122 4.514 4.550 0.143 0.000 0.288 758 Y C 2.446 178.431 175.900 0.141 0.000 1.146 758 Y CA 1.491 59.689 58.100 0.163 0.000 1.164 758 Y CB -0.222 38.377 38.460 0.231 0.000 0.982 758 Y HN -0.011 nan 8.280 nan 0.000 0.515 759 K N 0.377 120.955 120.400 0.297 0.000 2.001 759 K HA -0.213 4.195 4.320 0.147 0.000 0.214 759 K C 2.392 179.096 176.600 0.174 0.000 1.050 759 K CA 2.010 58.410 56.287 0.188 0.000 0.934 759 K CB -0.636 31.940 32.500 0.127 0.000 0.718 759 K HN 0.447 nan 8.250 nan 0.000 0.443 760 S N 0.187 115.988 115.700 0.167 0.000 2.383 760 S HA -0.089 4.469 4.470 0.147 0.000 0.227 760 S C 2.259 176.998 174.600 0.231 0.000 1.026 760 S CA 1.320 59.648 58.200 0.213 0.000 0.981 760 S CB -0.631 62.653 63.200 0.140 0.000 0.818 760 S HN 0.061 nan 8.310 nan 0.000 0.472 761 V N 2.270 122.251 119.914 0.111 0.000 2.287 761 V HA -0.140 4.069 4.120 0.147 0.000 0.248 761 V C 2.499 178.647 176.094 0.090 0.000 1.053 761 V CA 2.045 64.382 62.300 0.061 0.000 1.027 761 V CB -0.683 31.129 31.823 -0.018 0.000 0.646 761 V HN 0.521 nan 8.190 nan 0.000 0.447 762 I N -0.071 120.552 120.570 0.088 0.000 2.394 762 I HA -0.196 4.062 4.170 0.147 0.000 0.251 762 I C 2.065 178.217 176.117 0.058 0.000 1.136 762 I CA 1.360 62.684 61.300 0.041 0.000 1.425 762 I CB -0.398 37.622 38.000 0.035 0.000 1.079 762 I HN 0.323 nan 8.210 nan 0.000 0.425 763 D N -0.156 120.307 120.400 0.104 0.000 2.269 763 D HA -0.135 4.593 4.640 0.147 0.000 0.208 763 D C 1.453 177.694 176.300 -0.099 0.000 0.963 763 D CA 1.228 55.238 54.000 0.017 0.000 0.864 763 D CB -0.170 40.630 40.800 0.000 0.000 0.936 763 D HN 0.411 nan 8.370 nan 0.000 0.505 764 H N -1.203 117.878 119.070 0.019 0.000 2.519 764 H HA 0.324 4.970 4.556 0.149 0.000 0.289 764 H C 0.116 175.446 175.328 0.002 0.000 1.040 764 H CA -0.061 55.994 56.048 0.012 0.000 1.165 764 H CB -0.051 29.716 29.762 0.010 0.000 1.462 764 H HN 0.014 nan 8.280 nan 0.000 0.555 765 M N 0.906 120.546 119.600 0.066 0.000 2.300 765 M HA 0.313 4.881 4.480 0.147 0.000 0.348 765 M C -0.527 175.781 176.300 0.015 0.000 1.151 765 M CA -0.602 54.717 55.300 0.031 0.000 1.046 765 M CB 2.007 34.606 32.600 -0.001 0.000 1.647 765 M HN 0.029 nan 8.290 nan 0.000 0.451 766 I N 3.699 124.278 120.570 0.016 0.000 2.322 766 I HA 0.182 4.440 4.170 0.147 0.000 0.292 766 I C -0.492 175.633 176.117 0.014 0.000 1.060 766 I CA -0.310 60.999 61.300 0.016 0.000 1.309 766 I CB 0.250 38.261 38.000 0.019 0.000 1.415 766 I HN 0.461 nan 8.210 nan 0.000 0.492 767 I N 9.622 130.205 120.570 0.022 0.000 2.291 767 I HA 0.209 4.467 4.170 0.147 0.000 0.292 767 I C -1.607 174.550 176.117 0.066 0.000 1.064 767 I CA -1.673 59.644 61.300 0.028 0.000 1.269 767 I CB 0.178 38.197 38.000 0.032 0.000 1.418 767 I HN 0.424 nan 8.210 nan 0.000 0.485 768 P HA 0.101 nan 4.420 nan 0.000 0.268 768 P C -0.497 176.931 177.300 0.213 0.000 1.204 768 P CA -0.445 62.721 63.100 0.109 0.000 0.768 768 P CB 0.368 32.124 31.700 0.094 0.000 0.842 769 E N 2.167 122.453 120.200 0.143 0.000 2.408 769 E HA 0.131 4.569 4.350 0.147 0.000 0.259 769 E C -0.512 176.110 176.600 0.037 0.000 1.110 769 E CA -0.671 55.807 56.400 0.130 0.000 0.929 769 E CB 0.198 29.930 29.700 0.053 0.000 0.971 769 E HN 0.297 nan 8.360 nan 0.000 0.438 770 F N 1.760 121.536 119.950 -0.291 0.000 2.504 770 F HA 0.167 4.770 4.527 0.127 0.000 0.369 770 F C -0.575 175.035 175.800 -0.317 0.000 1.082 770 F CA -0.024 57.608 58.000 -0.612 0.000 1.216 770 F CB 0.668 39.346 39.000 -0.537 0.000 1.108 770 F HN 0.333 nan 8.300 nan 0.000 0.554 771 T N 8.004 121.894 114.554 -1.106 0.000 2.770 771 T HA 0.394 4.833 4.350 0.147 0.000 0.283 771 T C -2.556 171.233 174.700 -1.519 0.000 0.988 771 T CA -1.359 60.143 62.100 -0.996 0.000 0.957 771 T CB 1.343 69.909 68.868 -0.503 0.000 0.930 771 T HN 0.323 nan 8.240 nan 0.000 0.443 772 P HA 0.272 nan 4.420 nan 0.000 0.274 772 P C -0.440 176.415 177.300 -0.741 0.000 1.231 772 P CA -0.640 61.800 63.100 -1.100 0.000 0.790 772 P CB 0.485 31.461 31.700 -1.207 0.000 0.951 773 N N 0.995 119.377 118.700 -0.530 0.000 2.621 773 N HA 0.304 5.132 4.740 0.147 0.000 0.237 773 N C 0.479 175.954 175.510 -0.059 0.000 0.997 773 N CA -0.485 52.420 53.050 -0.241 0.000 0.918 773 N CB 0.524 38.947 38.487 -0.106 0.000 1.122 773 N HN 0.286 nan 8.380 nan 0.000 0.510 774 A N 3.169 125.984 122.820 -0.008 0.000 2.239 774 A HA -0.031 4.377 4.320 0.147 0.000 0.209 774 A C 1.458 179.126 177.584 0.141 0.000 1.171 774 A CA 0.647 52.832 52.037 0.247 0.000 0.768 774 A CB -0.120 18.991 19.000 0.185 0.000 0.790 774 A HN 0.612 nan 8.150 nan 0.000 0.478 775 N N -0.693 118.049 118.700 0.070 0.000 2.402 775 N HA 0.057 4.885 4.740 0.147 0.000 0.174 775 N C 0.271 175.808 175.510 0.045 0.000 1.027 775 N CA 0.143 53.218 53.050 0.042 0.000 0.891 775 N CB -0.229 38.268 38.487 0.017 0.000 1.016 775 N HN 0.435 nan 8.380 nan 0.000 0.439 776 L N 2.777 124.036 121.223 0.060 0.000 2.433 776 L HA 0.032 4.460 4.340 0.147 0.000 0.275 776 L C 0.141 177.034 176.870 0.039 0.000 1.128 776 L CA -0.251 54.621 54.840 0.053 0.000 0.875 776 L CB 0.224 42.323 42.059 0.067 0.000 1.171 776 L HN 0.099 nan 8.230 nan 0.000 0.463 777 K N 5.258 125.677 120.400 0.031 0.000 2.172 777 K HA 0.582 4.990 4.320 0.147 0.000 0.276 777 K C -0.939 175.700 176.600 0.065 0.000 1.013 777 K CA -0.092 56.212 56.287 0.028 0.000 0.913 777 K CB 1.049 33.570 32.500 0.035 0.000 1.055 777 K HN 0.506 nan 8.250 nan 0.000 0.461 778 I N 2.978 123.608 120.570 0.100 0.000 2.389 778 I HA 0.143 4.401 4.170 0.147 0.000 0.288 778 I C -0.056 176.240 176.117 0.298 0.000 0.999 778 I CA -0.947 60.475 61.300 0.203 0.000 1.129 778 I CB 1.884 40.048 38.000 0.274 0.000 1.288 778 I HN 0.688 nan 8.210 nan 0.000 0.444 779 Q N 3.957 123.879 119.800 0.203 0.000 2.337 779 Q HA 0.154 4.582 4.340 0.147 0.000 0.270 779 Q C 0.165 176.320 176.000 0.258 0.000 1.002 779 Q CA 0.014 55.931 55.803 0.189 0.000 0.888 779 Q CB 1.628 30.435 28.738 0.115 0.000 1.222 779 Q HN 0.619 nan 8.270 nan 0.000 0.400 780 V N 3.069 123.130 119.914 0.245 0.000 2.627 780 V HA 0.065 4.273 4.120 0.147 0.000 0.239 780 V C 0.243 176.424 176.094 0.145 0.000 1.077 780 V CA 0.769 63.224 62.300 0.257 0.000 1.103 780 V CB 0.254 32.168 31.823 0.152 0.000 0.802 780 V HN 0.690 nan 8.190 nan 0.000 0.482 781 N N 0.151 118.893 118.700 0.071 0.000 2.319 781 N HA 0.258 5.086 4.740 0.147 0.000 0.305 781 N C -0.050 175.483 175.510 0.038 0.000 1.103 781 N CA -0.394 52.672 53.050 0.026 0.000 0.815 781 N CB 1.777 40.252 38.487 -0.019 0.000 1.288 781 N HN 0.024 nan 8.380 nan 0.000 0.493 782 D N 0.311 120.726 120.400 0.024 0.000 2.221 782 D HA -0.121 4.607 4.640 0.147 0.000 0.204 782 D C 0.130 176.441 176.300 0.018 0.000 0.982 782 D CA 1.449 55.462 54.000 0.023 0.000 0.857 782 D CB 0.168 40.975 40.800 0.011 0.000 0.934 782 D HN 0.500 nan 8.370 nan 0.000 0.475 783 D N -0.107 120.300 120.400 0.011 0.000 2.340 783 D HA 0.043 4.771 4.640 0.147 0.000 0.217 783 D C -0.472 175.837 176.300 0.014 0.000 1.081 783 D CA 0.048 54.053 54.000 0.008 0.000 0.842 783 D CB 0.263 41.063 40.800 -0.000 0.000 0.934 783 D HN 0.095 nan 8.370 nan 0.000 0.511 784 D N 1.259 121.673 120.400 0.024 0.000 2.304 784 D HA 0.185 4.914 4.640 0.147 0.000 0.247 784 D C -1.632 174.688 176.300 0.033 0.000 1.089 784 D CA -1.212 52.806 54.000 0.031 0.000 0.910 784 D CB 0.886 41.714 40.800 0.046 0.000 1.199 784 D HN 0.062 nan 8.370 nan 0.000 0.426 795 S N 0.426 116.126 115.700 0.001 0.000 3.377 795 S HA -0.033 4.525 4.470 0.147 0.000 0.846 795 S C 0.352 174.951 174.600 -0.002 0.000 1.142 795 S CA 1.343 59.543 58.200 -0.001 0.000 1.051 795 S CB -0.943 62.257 63.200 0.001 0.000 0.704 795 S HN 2.495 nan 8.310 nan 0.000 0.286 796 D N -0.055 120.343 120.400 -0.003 0.000 2.997 796 D HA -0.198 4.530 4.640 0.147 0.000 0.226 796 D C 0.802 177.100 176.300 -0.004 0.000 1.189 796 D CA 2.033 56.031 54.000 -0.004 0.000 0.834 796 D CB -1.194 39.604 40.800 -0.003 0.000 1.105 796 D HN 0.778 nan 8.370 nan 0.000 0.415 797 E N -0.219 119.979 120.200 -0.004 0.000 1.999 797 E HA 0.058 4.496 4.350 0.147 0.000 0.198 797 E C 2.135 178.732 176.600 -0.004 0.000 0.960 797 E CA 0.277 56.674 56.400 -0.004 0.000 0.870 797 E CB 0.075 29.772 29.700 -0.004 0.000 0.827 797 E HN 0.217 nan 8.360 nan 0.000 0.511 798 I N 1.050 121.616 120.570 -0.006 0.000 3.768 798 I HA -0.526 3.732 4.170 0.147 0.000 0.160 798 I C 1.237 177.350 176.117 -0.006 0.000 0.582 798 I CA 2.273 63.567 61.300 -0.009 0.000 1.148 798 I CB -0.369 37.624 38.000 -0.011 0.000 0.982 798 I HN 0.246 nan 8.210 nan 0.000 0.257 799 D N -0.147 120.251 120.400 -0.004 0.000 2.178 799 D HA -0.212 4.517 4.640 0.147 0.000 0.201 799 D C 2.045 178.346 176.300 0.002 0.000 0.980 799 D CA 1.617 55.617 54.000 -0.000 0.000 0.842 799 D CB -0.119 40.681 40.800 0.000 0.000 0.948 799 D HN 0.614 nan 8.370 nan 0.000 0.472 800 Q N -0.145 119.656 119.800 0.000 0.000 2.046 800 Q HA -0.031 4.397 4.340 0.147 0.000 0.200 800 Q C 2.308 178.309 176.000 0.001 0.000 0.975 800 Q CA 0.674 56.478 55.803 0.002 0.000 0.836 800 Q CB -0.078 28.660 28.738 0.000 0.000 0.896 800 Q HN 0.302 nan 8.270 nan 0.000 0.428 801 L N -0.022 121.199 121.223 -0.003 0.000 2.012 801 L HA -0.220 4.208 4.340 0.147 0.000 0.210 801 L C 2.322 179.186 176.870 -0.009 0.000 1.073 801 L CA 1.060 55.895 54.840 -0.009 0.000 0.748 801 L CB -0.524 41.525 42.059 -0.015 0.000 0.891 801 L HN 0.165 nan 8.230 nan 0.000 0.431 802 V N -1.116 118.796 119.914 -0.003 0.000 2.261 802 V HA -0.270 3.938 4.120 0.147 0.000 0.246 802 V C 2.562 178.669 176.094 0.022 0.000 1.047 802 V CA 2.036 64.341 62.300 0.007 0.000 1.015 802 V CB -0.448 31.381 31.823 0.010 0.000 0.642 802 V HN 0.359 nan 8.190 nan 0.000 0.446 803 S N 0.429 116.140 115.700 0.018 0.000 2.382 803 S HA -0.212 4.346 4.470 0.147 0.000 0.228 803 S C 2.278 176.894 174.600 0.027 0.000 1.027 803 S CA 1.723 59.937 58.200 0.024 0.000 0.991 803 S CB -0.427 62.783 63.200 0.017 0.000 0.823 803 S HN 0.797 nan 8.310 nan 0.000 0.469 804 S N 1.482 117.193 115.700 0.019 0.000 2.383 804 S HA -0.039 4.519 4.470 0.147 0.000 0.229 804 S C 0.714 175.333 174.600 0.032 0.000 1.030 804 S CA 0.413 58.625 58.200 0.021 0.000 1.002 804 S CB -0.821 62.386 63.200 0.011 0.000 0.829 804 S HN 0.425 nan 8.310 nan 0.000 0.467 805 L N 3.494 124.735 121.223 0.030 0.000 2.601 805 L HA 0.167 4.595 4.340 0.147 0.000 0.277 805 L C -1.922 175.022 176.870 0.123 0.000 1.219 805 L CA -1.290 53.577 54.840 0.046 0.000 0.915 805 L CB -0.273 41.800 42.059 0.024 0.000 1.160 805 L HN 0.295 nan 8.230 nan 0.000 0.494 806 P HA -0.036 nan 4.420 nan 0.000 0.267 806 P C -0.427 176.996 177.300 0.205 0.000 1.209 806 P CA -0.292 62.901 63.100 0.155 0.000 0.763 806 P CB 0.538 32.329 31.700 0.150 0.000 0.816 807 D N 4.906 125.379 120.400 0.122 0.000 2.586 807 D HA -0.060 4.668 4.640 0.147 0.000 0.234 807 D C -1.265 175.054 176.300 0.032 0.000 1.132 807 D CA -1.052 52.992 54.000 0.074 0.000 0.860 807 D CB 0.756 41.580 40.800 0.039 0.000 1.159 807 D HN 0.166 nan 8.370 nan 0.000 0.490 808 P HA -0.172 nan 4.420 nan 0.000 0.216 808 P C 1.342 178.602 177.300 -0.068 0.000 1.153 808 P CA 1.531 64.536 63.100 -0.159 0.000 0.858 808 P CB -0.033 31.463 31.700 -0.340 0.000 0.789 809 S N -2.363 113.306 115.700 -0.052 0.000 2.528 809 S HA -0.123 4.435 4.470 0.147 0.000 0.244 809 S C 1.729 176.325 174.600 -0.007 0.000 0.982 809 S CA 1.549 59.732 58.200 -0.028 0.000 0.953 809 S CB -1.716 61.470 63.200 -0.024 0.000 0.754 809 S HN 0.125 nan 8.310 nan 0.000 0.529 810 T N 2.261 116.818 114.554 0.006 0.000 2.737 810 T HA 0.168 4.606 4.350 0.147 0.000 0.265 810 T C 1.169 175.882 174.700 0.021 0.000 1.038 810 T CA 1.174 63.284 62.100 0.017 0.000 1.144 810 T CB -0.299 68.590 68.868 0.034 0.000 0.866 810 T HN 0.359 nan 8.240 nan 0.000 0.434 811 L N 1.017 122.264 121.223 0.040 0.000 2.685 811 L HA 0.426 4.854 4.340 0.147 0.000 0.233 811 L C 0.923 177.836 176.870 0.071 0.000 1.173 811 L CA -0.427 54.457 54.840 0.073 0.000 0.961 811 L CB -0.209 41.940 42.059 0.149 0.000 1.217 811 L HN 0.056 nan 8.230 nan 0.000 0.478 812 A N 0.375 123.210 122.820 0.024 0.000 2.517 812 A HA 0.390 4.798 4.320 0.147 0.000 0.284 812 A C 1.326 178.923 177.584 0.022 0.000 1.195 812 A CA 1.047 53.088 52.037 0.006 0.000 0.873 812 A CB -0.812 18.181 19.000 -0.012 0.000 1.055 812 A HN 0.619 nan 8.150 nan 0.000 0.538 813 G N 1.821 110.642 108.800 0.034 0.000 3.898 813 G HA2 -0.089 3.959 3.960 0.147 0.000 0.196 813 G HA3 -0.089 3.959 3.960 0.147 0.000 0.196 813 G C 0.131 175.087 174.900 0.093 0.000 1.322 813 G CA -0.075 45.053 45.100 0.048 0.000 0.942 813 G HN 0.871 nan 8.290 nan 0.000 0.400 814 F N 3.255 123.172 119.950 -0.055 0.000 2.553 814 F HA 0.634 5.248 4.527 0.146 0.000 0.356 814 F C 0.462 176.209 175.800 -0.089 0.000 1.142 814 F CA 0.118 58.079 58.000 -0.065 0.000 1.322 814 F CB 0.920 39.890 39.000 -0.050 0.000 1.126 814 F HN 0.210 nan 8.300 nan 0.000 0.599 815 K N 6.443 126.377 120.400 -0.777 0.000 2.543 815 K HA 0.400 4.808 4.320 0.147 0.000 0.255 815 K C -1.819 174.236 176.600 -0.909 0.000 0.934 815 K CA -0.668 55.231 56.287 -0.647 0.000 0.810 815 K CB 1.515 33.813 32.500 -0.336 0.000 1.315 815 K HN 0.673 nan 8.250 nan 0.000 0.433 816 L N 2.204 122.987 121.223 -0.732 0.000 2.343 816 L HA 0.350 4.778 4.340 0.147 0.000 0.275 816 L C 0.017 176.627 176.870 -0.434 0.000 1.056 816 L CA -0.756 53.680 54.840 -0.674 0.000 0.804 816 L CB 1.366 43.033 42.059 -0.652 0.000 1.203 816 L HN 0.610 nan 8.230 nan 0.000 0.440 817 E N 4.142 124.105 120.200 -0.395 0.000 2.046 817 E HA 0.282 4.720 4.350 0.147 0.000 0.279 817 E C -2.472 174.057 176.600 -0.118 0.000 0.989 817 E CA -2.108 54.121 56.400 -0.286 0.000 0.798 817 E CB 0.871 30.293 29.700 -0.462 0.000 1.086 817 E HN 0.095 nan 8.360 nan 0.000 0.399 818 P HA 0.058 nan 4.420 nan 0.000 0.281 818 P C -0.654 176.714 177.300 0.113 0.000 1.252 818 P CA -0.443 62.654 63.100 -0.005 0.000 0.778 818 P CB 0.968 32.642 31.700 -0.045 0.000 0.895 819 V N 3.638 123.613 119.914 0.101 0.000 2.585 819 V HA -0.011 4.197 4.120 0.147 0.000 0.296 819 V C 0.703 176.830 176.094 0.056 0.000 1.035 819 V CA 0.693 63.030 62.300 0.061 0.000 1.084 819 V CB 0.152 31.884 31.823 -0.151 0.000 0.953 819 V HN 0.554 nan 8.190 nan 0.000 0.483 820 D N 4.648 125.125 120.400 0.127 0.000 2.412 820 D HA 0.172 4.900 4.640 0.147 0.000 0.224 820 D C -0.346 176.104 176.300 0.251 0.000 1.093 820 D CA -0.623 53.474 54.000 0.160 0.000 0.850 820 D CB 0.571 41.449 40.800 0.131 0.000 1.046 820 D HN 0.271 nan 8.370 nan 0.000 0.507 821 F N 3.381 123.408 119.950 0.129 0.000 2.623 821 F HA 0.214 4.829 4.527 0.147 0.000 0.383 821 F C 0.041 175.982 175.800 0.235 0.000 1.077 821 F CA 0.294 58.404 58.000 0.182 0.000 1.268 821 F CB 0.641 39.771 39.000 0.217 0.000 1.053 821 F HN 0.284 nan 8.300 nan 0.000 0.571 822 E N 5.750 125.786 120.200 -0.273 0.000 2.409 822 E HA 0.163 4.601 4.350 0.147 0.000 0.259 822 E C 0.115 176.383 176.600 -0.553 0.000 0.932 822 E CA -0.520 55.671 56.400 -0.349 0.000 0.809 822 E CB 0.811 30.448 29.700 -0.106 0.000 1.341 822 E HN 0.658 nan 8.360 nan 0.000 0.405 823 K N 2.245 122.228 120.400 -0.695 0.000 2.288 823 K HA -0.002 4.406 4.320 0.147 0.000 0.201 823 K C -0.044 176.450 176.600 -0.178 0.000 1.048 823 K CA 0.860 56.886 56.287 -0.435 0.000 0.956 823 K CB 0.315 32.682 32.500 -0.222 0.000 0.746 823 K HN 0.157 nan 8.250 nan 0.000 0.461 824 D N 1.169 121.475 120.400 -0.157 0.000 2.342 824 D HA 0.043 4.771 4.640 0.147 0.000 0.221 824 D C -0.833 175.410 176.300 -0.096 0.000 1.101 824 D CA 0.307 54.259 54.000 -0.081 0.000 0.837 824 D CB 0.259 41.030 40.800 -0.048 0.000 0.938 824 D HN 0.201 nan 8.370 nan 0.000 0.508 825 D N 0.373 120.683 120.400 -0.149 0.000 2.440 825 D HA 0.095 4.823 4.640 0.147 0.000 0.239 825 D C 0.333 176.525 176.300 -0.181 0.000 1.084 825 D CA -0.430 53.474 54.000 -0.160 0.000 0.843 825 D CB 1.178 41.862 40.800 -0.193 0.000 1.097 825 D HN -0.303 nan 8.370 nan 0.000 0.531 826 D N 1.459 121.780 120.400 -0.131 0.000 2.348 826 D HA -0.081 4.647 4.640 0.147 0.000 0.216 826 D C 1.692 177.884 176.300 -0.180 0.000 0.970 826 D CA 0.906 54.832 54.000 -0.123 0.000 0.889 826 D CB 0.257 41.012 40.800 -0.075 0.000 0.912 826 D HN 0.540 nan 8.370 nan 0.000 0.524 827 T N -2.454 111.970 114.554 -0.216 0.000 3.086 827 T HA -0.014 4.425 4.350 0.147 0.000 0.250 827 T C 1.051 175.493 174.700 -0.431 0.000 1.074 827 T CA -0.181 61.755 62.100 -0.273 0.000 0.988 827 T CB -0.446 68.318 68.868 -0.174 0.000 0.988 827 T HN 0.262 nan 8.240 nan 0.000 0.530 828 N N 0.456 118.903 118.700 -0.421 0.000 2.280 828 N HA -0.025 4.803 4.740 0.147 0.000 0.192 828 N C 0.131 175.483 175.510 -0.263 0.000 1.109 828 N CA -0.240 52.546 53.050 -0.440 0.000 0.855 828 N CB -0.375 37.709 38.487 -0.672 0.000 0.974 828 N HN 0.399 nan 8.380 nan 0.000 0.482 829 H N -1.386 117.634 119.070 -0.084 0.000 3.641 829 H HA -0.163 4.482 4.556 0.148 0.000 0.193 829 H C 0.447 175.909 175.328 0.223 0.000 1.013 829 H CA 1.507 57.596 56.048 0.067 0.000 1.212 829 H CB -1.584 28.225 29.762 0.079 0.000 1.089 829 H HN 0.504 nan 8.280 nan 0.000 0.339 830 H N 0.749 119.901 119.070 0.137 0.000 2.256 830 H HA -0.018 4.626 4.556 0.146 0.000 0.299 830 H C 2.563 177.934 175.328 0.071 0.000 1.071 830 H CA 1.440 57.554 56.048 0.110 0.000 1.280 830 H CB -0.146 29.643 29.762 0.046 0.000 1.370 830 H HN 0.252 nan 8.280 nan 0.000 0.490 831 I N 0.995 121.685 120.570 0.200 0.000 2.226 831 I HA -0.201 4.058 4.170 0.147 0.000 0.245 831 I C 2.436 178.637 176.117 0.141 0.000 1.100 831 I CA 1.057 62.447 61.300 0.150 0.000 1.374 831 I CB -1.128 36.931 38.000 0.100 0.000 1.057 831 I HN 0.375 nan 8.210 nan 0.000 0.413 832 E N 0.820 121.091 120.200 0.120 0.000 2.086 832 E HA -0.324 4.114 4.350 0.147 0.000 0.205 832 E C 2.358 179.081 176.600 0.205 0.000 1.027 832 E CA 1.956 58.418 56.400 0.103 0.000 0.830 832 E CB -0.341 29.420 29.700 0.102 0.000 0.751 832 E HN 0.371 nan 8.360 nan 0.000 0.456 833 F N 0.863 120.919 119.950 0.176 0.000 2.102 833 F HA -0.138 4.477 4.527 0.146 0.000 0.298 833 F C 2.104 178.063 175.800 0.265 0.000 1.105 833 F CA 1.634 59.773 58.000 0.232 0.000 1.239 833 F CB -0.184 39.002 39.000 0.310 0.000 0.991 833 F HN 0.016 nan 8.300 nan 0.000 0.474 834 I N -0.415 120.319 120.570 0.272 0.000 2.179 834 I HA -0.320 3.938 4.170 0.147 0.000 0.242 834 I C 2.246 178.433 176.117 0.116 0.000 1.088 834 I CA 1.756 63.162 61.300 0.177 0.000 1.357 834 I CB -0.904 37.157 38.000 0.102 0.000 1.051 834 I HN 0.140 nan 8.210 nan 0.000 0.409 835 T N 0.872 115.494 114.554 0.113 0.000 2.652 835 T HA -0.231 4.207 4.350 0.147 0.000 0.267 835 T C 2.058 176.820 174.700 0.104 0.000 1.039 835 T CA 1.669 63.831 62.100 0.103 0.000 1.153 835 T CB -0.453 68.466 68.868 0.086 0.000 0.863 835 T HN 0.490 nan 8.240 nan 0.000 0.428 836 A N 0.308 123.194 122.820 0.109 0.000 1.898 836 A HA -0.122 4.286 4.320 0.147 0.000 0.216 836 A C 2.747 180.434 177.584 0.172 0.000 1.181 836 A CA 1.660 53.798 52.037 0.169 0.000 0.620 836 A CB -1.383 17.774 19.000 0.261 0.000 0.819 836 A HN 0.658 nan 8.150 nan 0.000 0.442 837 C N -0.598 118.792 119.300 0.150 0.000 2.446 837 C HA -0.023 4.525 4.460 0.147 0.000 0.277 837 C C 3.207 178.403 174.990 0.344 0.000 1.275 837 C CA 1.627 60.856 59.018 0.351 0.000 1.727 837 C CB -1.078 26.760 27.740 0.163 0.000 2.010 837 C HN 0.660 nan 8.230 nan 0.000 0.486 838 S N 1.201 117.053 115.700 0.254 0.000 2.368 838 S HA -0.155 4.404 4.470 0.147 0.000 0.224 838 S C 1.712 176.378 174.600 0.111 0.000 1.029 838 S CA 2.044 60.386 58.200 0.238 0.000 0.988 838 S CB -0.676 62.637 63.200 0.188 0.000 0.838 838 S HN 0.737 nan 8.310 nan 0.000 0.462 839 N N 0.840 119.580 118.700 0.065 0.000 2.309 839 N HA 0.001 4.829 4.740 0.147 0.000 0.182 839 N C 1.806 177.261 175.510 -0.090 0.000 1.018 839 N CA 1.232 54.289 53.050 0.012 0.000 0.876 839 N CB -1.087 37.426 38.487 0.043 0.000 0.972 839 N HN 0.486 nan 8.380 nan 0.000 0.434 840 C N 0.357 119.516 119.300 -0.236 0.000 2.440 840 C HA 0.017 4.566 4.460 0.147 0.000 0.278 840 C C 2.721 177.371 174.990 -0.568 0.000 1.295 840 C CA 0.167 58.788 59.018 -0.662 0.000 1.738 840 C CB -0.785 25.955 27.740 -1.666 0.000 1.987 840 C HN 0.475 nan 8.230 nan 0.000 0.492 841 R N 1.268 121.625 120.500 -0.238 0.000 2.092 841 R HA -0.059 4.370 4.340 0.147 0.000 0.231 841 R C 2.174 178.473 176.300 -0.002 0.000 1.119 841 R CA 1.559 57.623 56.100 -0.060 0.000 0.970 841 R CB -0.341 29.825 30.300 -0.225 0.000 0.864 841 R HN 0.444 nan 8.270 nan 0.000 0.440 842 A N 0.757 123.559 122.820 -0.030 0.000 1.877 842 A HA -0.209 4.200 4.320 0.147 0.000 0.216 842 A C 2.057 179.609 177.584 -0.053 0.000 1.186 842 A CA 1.457 53.494 52.037 -0.000 0.000 0.620 842 A CB -0.538 18.462 19.000 0.001 0.000 0.822 842 A HN 0.502 nan 8.150 nan 0.000 0.443 843 Q N -0.341 119.382 119.800 -0.129 0.000 2.045 843 Q HA -0.266 4.162 4.340 0.147 0.000 0.206 843 Q C 1.973 177.749 176.000 -0.373 0.000 0.991 843 Q CA 1.988 57.654 55.803 -0.228 0.000 0.851 843 Q CB -0.384 28.254 28.738 -0.167 0.000 0.911 843 Q HN 0.809 nan 8.270 nan 0.000 0.418 844 N N -0.934 117.603 118.700 -0.271 0.000 2.132 844 N HA -0.208 4.620 4.740 0.147 0.000 0.191 844 N C 0.697 175.943 175.510 -0.441 0.000 1.015 844 N CA 1.321 54.167 53.050 -0.339 0.000 0.864 844 N CB -0.024 38.333 38.487 -0.216 0.000 1.006 844 N HN 0.258 nan 8.380 nan 0.000 0.430 845 Y N -1.614 118.578 120.300 -0.180 0.000 2.531 845 Y HA 0.263 4.905 4.550 0.154 0.000 0.249 845 Y C -0.505 175.511 175.900 0.194 0.000 1.168 845 Y CA -0.473 57.648 58.100 0.035 0.000 1.226 845 Y CB 0.200 38.684 38.460 0.041 0.000 1.177 845 Y HN -0.113 nan 8.280 nan 0.000 0.527 846 F N -0.560 119.438 119.950 0.080 0.000 3.071 846 F HA -0.272 4.343 4.527 0.147 0.000 0.295 846 F C -0.308 175.533 175.800 0.068 0.000 0.919 846 F CA -0.114 57.917 58.000 0.052 0.000 1.050 846 F CB -2.303 36.713 39.000 0.027 0.000 1.040 846 F HN -0.100 nan 8.300 nan 0.000 0.692 847 I N -0.007 120.653 120.570 0.150 0.000 2.428 847 I HA 0.249 4.507 4.170 0.147 0.000 0.296 847 I C 0.778 176.931 176.117 0.060 0.000 0.985 847 I CA -0.746 60.615 61.300 0.102 0.000 1.260 847 I CB 1.095 39.139 38.000 0.073 0.000 1.389 847 I HN 0.020 nan 8.210 nan 0.000 0.484 848 E N 3.485 123.717 120.200 0.052 0.000 2.366 848 E HA 0.071 4.509 4.350 0.147 0.000 0.266 848 E C -0.126 176.490 176.600 0.027 0.000 1.015 848 E CA -0.090 56.333 56.400 0.038 0.000 0.906 848 E CB 0.560 30.281 29.700 0.035 0.000 0.979 848 E HN 0.612 nan 8.360 nan 0.000 0.443 849 T N 0.300 114.869 114.554 0.024 0.000 2.898 849 T HA 0.530 4.969 4.350 0.147 0.000 0.301 849 T C 0.122 174.842 174.700 0.034 0.000 1.049 849 T CA -0.931 61.184 62.100 0.027 0.000 1.095 849 T CB 1.412 70.294 68.868 0.023 0.000 0.976 849 T HN 0.399 nan 8.240 nan 0.000 0.539 850 A N 1.968 124.815 122.820 0.045 0.000 2.322 850 A HA 0.705 5.113 4.320 0.147 0.000 0.327 850 A C -0.022 177.597 177.584 0.059 0.000 1.134 850 A CA -0.959 51.109 52.037 0.052 0.000 0.831 850 A CB 0.804 19.841 19.000 0.063 0.000 1.288 850 A HN 1.004 nan 8.150 nan 0.000 0.472 851 D N -0.860 119.576 120.400 0.060 0.000 2.423 851 D HA 0.264 4.992 4.640 0.147 0.000 0.255 851 D C 1.042 177.388 176.300 0.076 0.000 1.174 851 D CA -0.530 53.506 54.000 0.060 0.000 1.008 851 D CB 0.379 41.208 40.800 0.048 0.000 1.101 851 D HN 0.546 nan 8.370 nan 0.000 0.516 852 R N -0.791 119.750 120.500 0.068 0.000 2.189 852 R HA -0.079 4.349 4.340 0.147 0.000 0.218 852 R C 1.400 177.775 176.300 0.125 0.000 1.074 852 R CA 0.532 56.682 56.100 0.083 0.000 0.991 852 R CB -0.482 29.848 30.300 0.050 0.000 0.883 852 R HN 0.294 nan 8.270 nan 0.000 0.457 853 Q N 1.672 121.549 119.800 0.128 0.000 2.119 853 Q HA -0.086 4.342 4.340 0.147 0.000 0.201 853 Q C 1.819 178.001 176.000 0.304 0.000 0.972 853 Q CA 1.487 57.414 55.803 0.206 0.000 0.847 853 Q CB -0.151 28.661 28.738 0.123 0.000 0.903 853 Q HN 0.435 nan 8.270 nan 0.000 0.433 854 K N -0.070 120.453 120.400 0.206 0.000 2.103 854 K HA -0.067 4.341 4.320 0.147 0.000 0.204 854 K C 1.871 178.599 176.600 0.212 0.000 1.052 854 K CA 1.394 57.799 56.287 0.198 0.000 0.945 854 K CB 0.211 32.785 32.500 0.124 0.000 0.722 854 K HN 0.118 nan 8.250 nan 0.000 0.443 855 T N 0.990 115.647 114.554 0.171 0.000 2.770 855 T HA -0.126 4.312 4.350 0.147 0.000 0.263 855 T C 1.693 176.491 174.700 0.164 0.000 1.039 855 T CA 1.419 63.608 62.100 0.149 0.000 1.142 855 T CB -0.139 68.805 68.868 0.127 0.000 0.868 855 T HN 0.306 nan 8.240 nan 0.000 0.435 856 K N 0.388 120.904 120.400 0.192 0.000 2.074 856 K HA -0.183 4.225 4.320 0.147 0.000 0.209 856 K C 2.038 178.750 176.600 0.186 0.000 1.048 856 K CA 1.472 57.883 56.287 0.206 0.000 0.926 856 K CB -0.415 32.220 32.500 0.226 0.000 0.713 856 K HN 0.257 nan 8.250 nan 0.000 0.444 857 F N 1.456 121.389 119.950 -0.028 0.000 2.095 857 F HA -0.175 4.439 4.527 0.146 0.000 0.298 857 F C 1.739 177.454 175.800 -0.142 0.000 1.104 857 F CA 1.616 59.439 58.000 -0.294 0.000 1.232 857 F CB -0.116 38.531 39.000 -0.588 0.000 0.987 857 F HN 0.011 nan 8.300 nan 0.000 0.475 858 I N -0.349 120.188 120.570 -0.054 0.000 2.206 858 I HA -0.156 4.102 4.170 0.147 0.000 0.239 858 I C 2.660 178.728 176.117 -0.081 0.000 1.078 858 I CA 1.022 62.242 61.300 -0.133 0.000 1.367 858 I CB -1.097 36.906 38.000 0.006 0.000 1.078 858 I HN 0.138 nan 8.210 nan 0.000 0.413 859 A N 0.936 123.764 122.820 0.012 0.000 1.978 859 A HA -0.127 4.281 4.320 0.147 0.000 0.220 859 A C 2.256 179.889 177.584 0.081 0.000 1.170 859 A CA 1.969 54.019 52.037 0.023 0.000 0.636 859 A CB -1.237 17.791 19.000 0.047 0.000 0.810 859 A HN 0.509 nan 8.150 nan 0.000 0.448 860 G N -1.728 107.146 108.800 0.123 0.000 2.880 860 G HA2 0.191 4.239 3.960 0.147 0.000 0.209 860 G HA3 0.191 4.239 3.960 0.147 0.000 0.209 860 G C 0.689 175.608 174.900 0.031 0.000 1.157 860 G CA 0.178 45.386 45.100 0.180 0.000 0.779 860 G HN 0.552 nan 8.290 nan 0.000 0.539 861 R N -0.515 119.921 120.500 -0.106 0.000 3.405 861 R HA -0.159 4.269 4.340 0.147 0.000 0.258 861 R C -0.142 176.036 176.300 -0.203 0.000 1.030 861 R CA 0.250 56.236 56.100 -0.189 0.000 0.691 861 R CB -2.392 27.859 30.300 -0.082 0.000 1.093 861 R HN 0.386 nan 8.270 nan 0.000 0.448 862 I N 1.104 121.500 120.570 -0.290 0.000 2.779 862 I HA 0.096 4.354 4.170 0.147 0.000 0.285 862 I C 1.119 177.155 176.117 -0.134 0.000 1.134 862 I CA -0.017 61.202 61.300 -0.135 0.000 1.398 862 I CB 0.561 38.567 38.000 0.010 0.000 1.404 862 I HN 0.093 nan 8.210 nan 0.000 0.587 863 I N 6.451 127.050 120.570 0.048 0.000 2.355 863 I HA 0.289 4.547 4.170 0.147 0.000 0.288 863 I C -2.234 174.015 176.117 0.220 0.000 0.999 863 I CA -1.969 59.397 61.300 0.110 0.000 1.163 863 I CB 1.195 39.241 38.000 0.077 0.000 1.316 863 I HN 0.250 nan 8.210 nan 0.000 0.454 864 P HA 0.209 nan 4.420 nan 0.000 0.266 864 P C -0.890 176.534 177.300 0.206 0.000 1.195 864 P CA -0.043 63.244 63.100 0.312 0.000 0.768 864 P CB 0.728 32.598 31.700 0.284 0.000 0.838 865 A N 3.087 126.021 122.820 0.190 0.000 2.547 865 A HA 0.776 5.184 4.320 0.147 0.000 0.297 865 A C -1.502 176.154 177.584 0.120 0.000 1.056 865 A CA -0.517 51.601 52.037 0.134 0.000 0.688 865 A CB 1.124 20.198 19.000 0.123 0.000 1.282 865 A HN 0.557 nan 8.150 nan 0.000 0.400 866 I N 1.163 121.787 120.570 0.091 0.000 2.752 866 I HA 0.580 4.838 4.170 0.147 0.000 0.295 866 I C 0.985 177.133 176.117 0.053 0.000 1.219 866 I CA -0.482 60.867 61.300 0.082 0.000 1.030 866 I CB 2.300 40.350 38.000 0.083 0.000 1.259 866 I HN 0.930 nan 8.210 nan 0.000 0.423 867 A N 4.083 126.933 122.820 0.051 0.000 2.084 867 A HA -0.126 4.282 4.320 0.147 0.000 0.221 867 A C 1.818 179.396 177.584 -0.010 0.000 1.161 867 A CA 2.455 54.504 52.037 0.020 0.000 0.653 867 A CB -0.807 18.203 19.000 0.016 0.000 0.802 867 A HN 0.868 nan 8.150 nan 0.000 0.457 868 T N -0.547 114.006 114.554 -0.002 0.000 2.612 868 T HA -0.111 4.327 4.350 0.147 0.000 0.259 868 T C 2.079 176.755 174.700 -0.041 0.000 1.065 868 T CA 2.244 64.330 62.100 -0.024 0.000 1.167 868 T CB -0.504 68.360 68.868 -0.006 0.000 0.863 868 T HN 0.573 nan 8.240 nan 0.000 0.407 869 T N 1.467 116.001 114.554 -0.034 0.000 2.759 869 T HA -0.120 4.318 4.350 0.147 0.000 0.269 869 T C 2.121 176.811 174.700 -0.017 0.000 1.042 869 T CA 1.763 63.842 62.100 -0.036 0.000 1.140 869 T CB -0.832 68.018 68.868 -0.029 0.000 0.864 869 T HN 0.406 nan 8.240 nan 0.000 0.455 870 T N 2.186 116.735 114.554 -0.009 0.000 2.652 870 T HA -0.151 4.287 4.350 0.147 0.000 0.267 870 T C 2.491 177.180 174.700 -0.020 0.000 1.039 870 T CA 1.799 63.895 62.100 -0.007 0.000 1.153 870 T CB -0.540 68.329 68.868 0.001 0.000 0.863 870 T HN 0.643 nan 8.240 nan 0.000 0.428 871 S N 1.860 117.537 115.700 -0.039 0.000 2.402 871 S HA -0.018 4.540 4.470 0.147 0.000 0.229 871 S C 2.111 176.701 174.600 -0.016 0.000 1.021 871 S CA 0.414 58.584 58.200 -0.051 0.000 0.974 871 S CB -0.593 62.548 63.200 -0.098 0.000 0.800 871 S HN 0.258 nan 8.310 nan 0.000 0.484 872 L N 2.249 123.458 121.223 -0.022 0.000 1.970 872 L HA 0.017 4.445 4.340 0.147 0.000 0.212 872 L C 2.489 179.427 176.870 0.112 0.000 1.071 872 L CA 1.852 56.696 54.840 0.006 0.000 0.751 872 L CB -1.632 40.386 42.059 -0.068 0.000 0.889 872 L HN 0.309 nan 8.230 nan 0.000 0.432 873 V N 0.175 120.130 119.914 0.070 0.000 2.332 873 V HA -0.315 3.894 4.120 0.147 0.000 0.248 873 V C 2.669 178.804 176.094 0.069 0.000 1.055 873 V CA 2.181 64.525 62.300 0.074 0.000 1.038 873 V CB -0.856 30.989 31.823 0.036 0.000 0.651 873 V HN 0.547 nan 8.190 nan 0.000 0.450 874 T N -0.045 114.532 114.554 0.038 0.000 2.746 874 T HA -0.128 4.310 4.350 0.147 0.000 0.267 874 T C 1.885 176.622 174.700 0.061 0.000 1.039 874 T CA 1.462 63.573 62.100 0.018 0.000 1.142 874 T CB -0.727 68.120 68.868 -0.036 0.000 0.866 874 T HN 0.641 nan 8.240 nan 0.000 0.444 875 G N 1.872 110.729 108.800 0.094 0.000 2.553 875 G HA2 -0.238 3.810 3.960 0.147 0.000 0.218 875 G HA3 -0.238 3.810 3.960 0.147 0.000 0.218 875 G C 1.470 176.461 174.900 0.152 0.000 1.195 875 G CA 0.946 46.136 45.100 0.150 0.000 0.779 875 G HN 0.463 nan 8.290 nan 0.000 0.577 876 L N 0.082 121.403 121.223 0.163 0.000 2.042 876 L HA -0.135 4.293 4.340 0.147 0.000 0.210 876 L C 3.065 180.014 176.870 0.133 0.000 1.076 876 L CA 0.706 55.636 54.840 0.150 0.000 0.749 876 L CB -0.729 41.446 42.059 0.192 0.000 0.893 876 L HN 0.117 nan 8.230 nan 0.000 0.432 877 V N 0.210 120.190 119.914 0.110 0.000 2.324 877 V HA -0.323 3.885 4.120 0.147 0.000 0.250 877 V C 2.130 178.279 176.094 0.093 0.000 1.060 877 V CA 1.996 64.357 62.300 0.102 0.000 1.042 877 V CB -0.672 31.207 31.823 0.093 0.000 0.650 877 V HN 0.534 nan 8.190 nan 0.000 0.450 878 N N -0.298 118.455 118.700 0.088 0.000 2.512 878 N HA 0.011 4.839 4.740 0.147 0.000 0.183 878 N C 1.635 177.098 175.510 -0.079 0.000 1.073 878 N CA 0.860 53.922 53.050 0.020 0.000 0.911 878 N CB 0.027 38.551 38.487 0.061 0.000 0.964 878 N HN 0.449 nan 8.380 nan 0.000 0.447 879 L N 0.686 121.958 121.223 0.082 0.000 2.209 879 L HA 0.000 4.428 4.340 0.147 0.000 0.207 879 L C 2.038 178.999 176.870 0.153 0.000 1.094 879 L CA 0.692 55.649 54.840 0.194 0.000 0.790 879 L CB -0.103 42.083 42.059 0.211 0.000 0.932 879 L HN -0.058 nan 8.230 nan 0.000 0.447 880 E N 0.445 120.705 120.200 0.100 0.000 2.107 880 E HA -0.190 4.248 4.350 0.147 0.000 0.191 880 E C 2.190 178.812 176.600 0.036 0.000 0.982 880 E CA 0.783 57.246 56.400 0.106 0.000 0.809 880 E CB -0.349 29.438 29.700 0.145 0.000 0.756 880 E HN 0.377 nan 8.360 nan 0.000 0.459 881 L N 0.323 121.504 121.223 -0.069 0.000 2.034 881 L HA -0.296 4.132 4.340 0.147 0.000 0.217 881 L C 2.351 179.096 176.870 -0.208 0.000 1.077 881 L CA 1.687 56.382 54.840 -0.241 0.000 0.769 881 L CB -0.421 41.492 42.059 -0.243 0.000 0.890 881 L HN 0.149 nan 8.230 nan 0.000 0.435 882 Y N -0.039 120.234 120.300 -0.045 0.000 2.193 882 Y HA -0.348 4.290 4.550 0.147 0.000 0.285 882 Y C 2.533 178.463 175.900 0.050 0.000 1.166 882 Y CA 1.781 59.893 58.100 0.021 0.000 1.181 882 Y CB -0.220 38.268 38.460 0.046 0.000 0.976 882 Y HN 0.255 nan 8.280 nan 0.000 0.520 883 K N -0.011 120.469 120.400 0.133 0.000 2.103 883 K HA -0.099 4.309 4.320 0.147 0.000 0.204 883 K C 1.894 178.541 176.600 0.078 0.000 1.052 883 K CA 1.043 57.336 56.287 0.009 0.000 0.945 883 K CB -0.249 32.116 32.500 -0.225 0.000 0.722 883 K HN 0.305 nan 8.250 nan 0.000 0.443 884 L N 1.216 122.467 121.223 0.047 0.000 2.012 884 L HA -0.207 4.221 4.340 0.147 0.000 0.210 884 L C 2.342 179.188 176.870 -0.039 0.000 1.073 884 L CA 0.997 55.801 54.840 -0.059 0.000 0.748 884 L CB -0.661 41.146 42.059 -0.421 0.000 0.891 884 L HN 0.180 nan 8.230 nan 0.000 0.431 885 I N -0.012 120.533 120.570 -0.041 0.000 2.335 885 I HA -0.277 3.981 4.170 0.147 0.000 0.251 885 I C 1.842 178.072 176.117 0.188 0.000 1.129 885 I CA 1.496 62.808 61.300 0.020 0.000 1.402 885 I CB -1.136 36.791 38.000 -0.122 0.000 1.069 885 I HN 0.296 nan 8.210 nan 0.000 0.424 886 D N 1.262 121.816 120.400 0.257 0.000 2.336 886 D HA -0.080 4.648 4.640 0.147 0.000 0.229 886 D C 0.269 176.670 176.300 0.168 0.000 1.061 886 D CA 0.074 54.222 54.000 0.247 0.000 0.875 886 D CB -0.278 40.587 40.800 0.109 0.000 0.904 886 D HN 0.209 nan 8.370 nan 0.000 0.525 887 N N 0.820 119.599 118.700 0.132 0.000 2.714 887 N HA -0.242 4.586 4.740 0.147 0.000 0.252 887 N C -0.467 175.105 175.510 0.103 0.000 1.014 887 N CA 0.602 53.714 53.050 0.104 0.000 0.735 887 N CB -1.231 37.309 38.487 0.089 0.000 0.924 887 N HN 0.444 nan 8.380 nan 0.000 0.540 888 K N -0.164 120.308 120.400 0.120 0.000 2.489 888 K HA 0.071 4.479 4.320 0.147 0.000 0.278 888 K C 1.205 177.920 176.600 0.192 0.000 1.000 888 K CA 0.641 56.980 56.287 0.086 0.000 1.012 888 K CB 0.531 32.953 32.500 -0.129 0.000 0.903 888 K HN 0.080 nan 8.250 nan 0.000 0.485 889 T N 0.812 115.436 114.554 0.116 0.000 3.004 889 T HA -0.014 4.424 4.350 0.147 0.000 0.266 889 T C -0.802 173.958 174.700 0.100 0.000 0.986 889 T CA -0.124 62.033 62.100 0.097 0.000 0.902 889 T CB 0.150 69.041 68.868 0.038 0.000 1.118 889 T HN 0.543 nan 8.240 nan 0.000 0.522 890 D N 1.414 121.873 120.400 0.097 0.000 2.347 890 D HA 0.214 4.942 4.640 0.147 0.000 0.235 890 D C 1.103 177.497 176.300 0.157 0.000 1.149 890 D CA -0.424 53.621 54.000 0.075 0.000 0.850 890 D CB 0.458 41.266 40.800 0.013 0.000 1.061 890 D HN 0.124 nan 8.370 nan 0.000 0.487 891 I N 3.244 123.914 120.570 0.167 0.000 2.530 891 I HA -0.201 4.057 4.170 0.147 0.000 0.257 891 I C 1.397 177.643 176.117 0.215 0.000 1.179 891 I CA 1.164 62.604 61.300 0.233 0.000 1.440 891 I CB 0.259 38.332 38.000 0.122 0.000 1.087 891 I HN 0.482 nan 8.210 nan 0.000 0.440 892 E N -0.123 120.144 120.200 0.111 0.000 2.482 892 E HA -0.152 4.286 4.350 0.147 0.000 0.196 892 E C 1.641 178.250 176.600 0.015 0.000 1.047 892 E CA 0.244 56.684 56.400 0.067 0.000 0.869 892 E CB 0.027 29.749 29.700 0.037 0.000 0.836 892 E HN 0.593 nan 8.360 nan 0.000 0.520 893 Q N -0.275 119.498 119.800 -0.045 0.000 2.331 893 Q HA 0.004 4.432 4.340 0.147 0.000 0.203 893 Q C 0.234 176.105 176.000 -0.215 0.000 0.944 893 Q CA 0.752 56.440 55.803 -0.192 0.000 0.892 893 Q CB -0.098 28.433 28.738 -0.344 0.000 0.983 893 Q HN 0.362 nan 8.270 nan 0.000 0.482 894 Y N 0.806 121.109 120.300 0.006 0.000 2.301 894 Y HA 0.251 4.889 4.550 0.147 0.000 0.325 894 Y C 0.362 176.292 175.900 0.048 0.000 1.203 894 Y CA -0.157 57.957 58.100 0.022 0.000 1.255 894 Y CB 0.960 39.439 38.460 0.031 0.000 1.232 894 Y HN -0.294 nan 8.280 nan 0.000 0.501 895 K N 2.677 123.220 120.400 0.238 0.000 2.578 895 K HA 0.271 4.679 4.320 0.147 0.000 0.250 895 K C -1.404 175.356 176.600 0.267 0.000 0.955 895 K CA -0.956 55.475 56.287 0.239 0.000 0.825 895 K CB 1.183 33.769 32.500 0.145 0.000 1.151 895 K HN 0.582 nan 8.250 nan 0.000 0.432 896 N N 1.252 120.087 118.700 0.225 0.000 2.497 896 N HA 0.144 4.972 4.740 0.147 0.000 0.268 896 N C -0.017 175.455 175.510 -0.064 0.000 1.171 896 N CA 0.098 53.174 53.050 0.044 0.000 0.948 896 N CB 1.421 39.921 38.487 0.021 0.000 1.069 896 N HN 0.719 nan 8.380 nan 0.000 0.460 897 G N 0.840 109.450 108.800 -0.317 0.000 2.388 897 G HA2 0.692 4.740 3.960 0.147 0.000 0.330 897 G HA3 0.692 4.740 3.960 0.147 0.000 0.330 897 G C -1.167 173.218 174.900 -0.858 0.000 1.142 897 G CA -0.440 44.352 45.100 -0.514 0.000 0.908 897 G HN 0.379 nan 8.290 nan 0.000 0.473 898 F N 0.675 120.494 119.950 -0.218 0.000 2.561 898 F HA 0.612 5.227 4.527 0.147 0.000 0.313 898 F C -0.217 175.540 175.800 -0.072 0.000 1.126 898 F CA -0.953 57.022 58.000 -0.042 0.000 0.918 898 F CB 2.857 41.914 39.000 0.096 0.000 1.199 898 F HN 0.351 nan 8.300 nan 0.000 0.444 899 V N 2.837 122.839 119.914 0.148 0.000 2.851 899 V HA 0.529 4.738 4.120 0.147 0.000 0.307 899 V C -1.530 174.569 176.094 0.007 0.000 1.129 899 V CA -0.626 61.663 62.300 -0.019 0.000 0.932 899 V CB 2.464 34.243 31.823 -0.074 0.000 1.024 899 V HN 0.739 nan 8.190 nan 0.000 0.426 900 N N 4.281 122.943 118.700 -0.064 0.000 2.581 900 N HA 0.393 5.221 4.740 0.147 0.000 0.279 900 N C 0.342 175.690 175.510 -0.270 0.000 1.124 900 N CA -0.482 52.495 53.050 -0.121 0.000 0.833 900 N CB 1.479 39.942 38.487 -0.041 0.000 1.338 900 N HN 0.567 nan 8.380 nan 0.000 0.533 901 L N 1.590 122.619 121.223 -0.323 0.000 2.362 901 L HA 0.029 4.457 4.340 0.147 0.000 0.219 901 L C 2.107 178.770 176.870 -0.345 0.000 1.134 901 L CA 0.963 55.600 54.840 -0.338 0.000 0.807 901 L CB -0.250 41.651 42.059 -0.264 0.000 0.927 901 L HN 0.563 nan 8.230 nan 0.000 0.447 902 A N 0.409 122.936 122.820 -0.487 0.000 2.019 902 A HA -0.125 4.283 4.320 0.147 0.000 0.219 902 A C 2.220 179.727 177.584 -0.128 0.000 1.164 902 A CA 1.309 53.008 52.037 -0.562 0.000 0.644 902 A CB -0.360 18.260 19.000 -0.633 0.000 0.805 902 A HN 0.405 nan 8.150 nan 0.000 0.449 903 L N -0.537 120.630 121.223 -0.094 0.000 2.102 903 L HA 0.087 4.515 4.340 0.147 0.000 0.202 903 L C -1.547 175.362 176.870 0.065 0.000 1.076 903 L CA 0.080 54.930 54.840 0.016 0.000 0.761 903 L CB -1.267 40.819 42.059 0.046 0.000 0.921 903 L HN 0.212 nan 8.230 nan 0.000 0.444 904 P HA 0.137 nan 4.420 nan 0.000 0.282 904 P C -1.242 176.031 177.300 -0.046 0.000 1.249 904 P CA 0.069 63.115 63.100 -0.089 0.000 0.806 904 P CB 1.184 32.858 31.700 -0.043 0.000 0.984 905 F N 3.216 122.902 119.950 -0.439 0.000 2.556 905 F HA 0.660 5.275 4.527 0.147 0.000 0.314 905 F C -1.895 173.588 175.800 -0.527 0.000 1.106 905 F CA -1.011 56.847 58.000 -0.236 0.000 0.911 905 F CB 1.298 40.264 39.000 -0.056 0.000 1.190 905 F HN 0.100 nan 8.300 nan 0.000 0.448 906 F N 3.349 122.795 119.950 -0.839 0.000 2.551 906 F HA 0.839 5.454 4.527 0.147 0.000 0.316 906 F C 0.251 175.478 175.800 -0.954 0.000 1.089 906 F CA -1.087 56.507 58.000 -0.677 0.000 0.915 906 F CB 2.353 41.278 39.000 -0.125 0.000 1.186 906 F HN 0.741 nan 8.300 nan 0.000 0.456 907 G N 1.533 110.003 108.800 -0.550 0.000 2.732 907 G HA2 0.677 4.725 3.960 0.147 0.000 0.296 907 G HA3 0.677 4.725 3.960 0.147 0.000 0.296 907 G C -2.231 172.577 174.900 -0.155 0.000 1.448 907 G CA -0.658 44.393 45.100 -0.082 0.000 0.911 907 G HN 0.362 nan 8.290 nan 0.000 0.528 908 F N 0.512 120.693 119.950 0.384 0.000 2.599 908 F HA 0.811 5.426 4.527 0.147 0.000 0.311 908 F C 0.388 176.385 175.800 0.330 0.000 1.076 908 F CA -0.686 57.510 58.000 0.326 0.000 0.937 908 F CB 3.013 42.142 39.000 0.214 0.000 1.282 908 F HN 0.680 nan 8.300 nan 0.000 0.460 909 S N -0.079 115.927 115.700 0.510 0.000 2.537 909 S HA 0.413 4.971 4.470 0.147 0.000 0.270 909 S C -1.222 173.556 174.600 0.297 0.000 1.142 909 S CA -1.065 57.358 58.200 0.371 0.000 0.870 909 S CB 1.714 65.131 63.200 0.362 0.000 1.112 909 S HN 0.688 nan 8.310 nan 0.000 0.466 910 E N 1.976 122.311 120.200 0.225 0.000 2.502 910 E HA 0.177 4.615 4.350 0.147 0.000 0.261 910 E C -2.194 174.515 176.600 0.182 0.000 0.974 910 E CA -1.228 55.285 56.400 0.188 0.000 0.936 910 E CB 0.174 29.961 29.700 0.146 0.000 0.926 910 E HN 0.385 nan 8.360 nan 0.000 0.459 911 P HA -0.022 nan 4.420 nan 0.000 0.268 911 P C -0.475 176.894 177.300 0.116 0.000 1.208 911 P CA 0.292 63.474 63.100 0.136 0.000 0.777 911 P CB 0.442 32.194 31.700 0.088 0.000 0.875 912 I N 1.084 121.720 120.570 0.109 0.000 2.575 912 I HA 0.214 4.472 4.170 0.147 0.000 0.285 912 I C 0.923 177.091 176.117 0.086 0.000 1.085 912 I CA -0.604 60.751 61.300 0.090 0.000 1.403 912 I CB 0.818 38.867 38.000 0.081 0.000 1.409 912 I HN 0.362 nan 8.210 nan 0.000 0.557 913 A N 4.970 127.834 122.820 0.074 0.000 2.407 913 A HA 0.307 4.715 4.320 0.147 0.000 0.248 913 A C 0.495 178.132 177.584 0.089 0.000 1.082 913 A CA -0.455 51.626 52.037 0.073 0.000 0.785 913 A CB 0.160 19.192 19.000 0.054 0.000 1.020 913 A HN 0.816 nan 8.150 nan 0.000 0.489 914 S N 3.131 118.907 115.700 0.127 0.000 2.546 914 S HA 0.309 4.867 4.470 0.147 0.000 0.290 914 S C -2.240 172.405 174.600 0.075 0.000 1.290 914 S CA -0.873 57.420 58.200 0.156 0.000 1.069 914 S CB -0.171 63.212 63.200 0.305 0.000 0.846 914 S HN 0.616 nan 8.310 nan 0.000 0.495 915 P HA 0.211 nan 4.420 nan 0.000 0.269 915 P C -0.679 176.585 177.300 -0.060 0.000 1.209 915 P CA -0.250 62.846 63.100 -0.006 0.000 0.776 915 P CB 0.477 32.171 31.700 -0.009 0.000 0.876 916 K N 1.170 121.511 120.400 -0.098 0.000 2.267 916 K HA 0.725 5.133 4.320 0.147 0.000 0.246 916 K C 0.362 176.799 176.600 -0.271 0.000 0.954 916 K CA -0.609 55.564 56.287 -0.190 0.000 0.824 916 K CB 2.621 35.056 32.500 -0.109 0.000 1.167 916 K HN 0.665 nan 8.250 nan 0.000 0.431 917 G N 0.079 108.560 108.800 -0.532 0.000 3.015 917 G HA2 0.523 4.571 3.960 0.147 0.000 0.281 917 G HA3 0.523 4.571 3.960 0.147 0.000 0.281 917 G C -1.424 173.439 174.900 -0.062 0.000 1.386 917 G CA -0.305 44.552 45.100 -0.405 0.000 0.959 917 G HN 0.473 nan 8.290 nan 0.000 0.522 918 E N -0.934 119.441 120.200 0.290 0.000 2.343 918 E HA 0.435 4.873 4.350 0.147 0.000 0.286 918 E C -2.107 174.690 176.600 0.328 0.000 0.915 918 E CA -0.731 55.807 56.400 0.229 0.000 0.784 918 E CB 2.040 31.797 29.700 0.094 0.000 1.251 918 E HN 0.612 nan 8.360 nan 0.000 0.407 919 Y N 2.036 122.461 120.300 0.208 0.000 2.457 919 Y HA 0.502 5.140 4.550 0.147 0.000 0.343 919 Y C 0.005 175.962 175.900 0.094 0.000 0.994 919 Y CA -1.251 56.924 58.100 0.125 0.000 1.031 919 Y CB 1.059 39.573 38.460 0.090 0.000 1.246 919 Y HN 0.502 nan 8.280 nan 0.000 0.449 920 N N 3.171 121.983 118.700 0.187 0.000 2.727 920 N HA -0.308 4.520 4.740 0.147 0.000 0.249 920 N C 0.252 175.768 175.510 0.010 0.000 1.048 920 N CA 1.401 54.515 53.050 0.107 0.000 0.714 920 N CB -0.906 37.680 38.487 0.166 0.000 0.959 920 N HN 0.977 nan 8.380 nan 0.000 0.544 921 N N -1.224 117.477 118.700 0.001 0.000 2.929 921 N HA -0.250 4.579 4.740 0.147 0.000 0.234 921 N C -0.093 175.376 175.510 -0.069 0.000 0.908 921 N CA 2.145 55.184 53.050 -0.020 0.000 0.993 921 N CB -0.572 37.912 38.487 -0.005 0.000 1.075 921 N HN 0.823 nan 8.380 nan 0.000 0.603 922 K N 1.104 121.405 120.400 -0.165 0.000 2.211 922 K HA 0.345 4.753 4.320 0.147 0.000 0.275 922 K C -0.142 176.304 176.600 -0.257 0.000 1.024 922 K CA -0.651 55.492 56.287 -0.239 0.000 0.887 922 K CB 0.897 33.197 32.500 -0.334 0.000 1.084 922 K HN -0.006 nan 8.250 nan 0.000 0.463 923 K N 3.060 123.393 120.400 -0.113 0.000 2.154 923 K HA 0.184 4.592 4.320 0.147 0.000 0.264 923 K C -1.330 175.306 176.600 0.059 0.000 1.008 923 K CA -0.098 56.172 56.287 -0.029 0.000 0.937 923 K CB 0.467 32.951 32.500 -0.027 0.000 1.002 923 K HN 0.590 nan 8.250 nan 0.000 0.469 924 Y N -0.756 119.517 120.300 -0.045 0.000 2.581 924 Y HA 0.391 5.029 4.550 0.147 0.000 0.337 924 Y C -1.484 174.442 175.900 0.043 0.000 1.108 924 Y CA -1.292 56.810 58.100 0.003 0.000 1.033 924 Y CB 1.419 39.917 38.460 0.065 0.000 1.318 924 Y HN 0.499 nan 8.280 nan 0.000 0.459 925 D N 2.904 123.331 120.400 0.044 0.000 2.274 925 D HA 0.208 4.936 4.640 0.147 0.000 0.239 925 D C 0.050 176.374 176.300 0.039 0.000 1.104 925 D CA -0.239 53.765 54.000 0.007 0.000 0.840 925 D CB 1.679 42.582 40.800 0.172 0.000 1.100 925 D HN 0.822 nan 8.370 nan 0.000 0.477 926 K N 2.912 123.251 120.400 -0.101 0.000 2.432 926 K HA 0.062 4.470 4.320 0.147 0.000 0.196 926 K C 1.414 178.082 176.600 0.113 0.000 1.038 926 K CA 0.483 56.788 56.287 0.029 0.000 0.986 926 K CB 0.637 33.108 32.500 -0.048 0.000 0.782 926 K HN 0.543 nan 8.250 nan 0.000 0.485 927 I N -1.915 118.688 120.570 0.055 0.000 3.039 927 I HA -0.076 4.182 4.170 0.147 0.000 0.270 927 I C 1.256 177.290 176.117 -0.138 0.000 1.150 927 I CA 0.499 61.718 61.300 -0.134 0.000 1.448 927 I CB 0.124 37.885 38.000 -0.398 0.000 1.197 927 I HN 0.155 nan 8.210 nan 0.000 0.450 928 W N 0.682 122.054 121.300 0.120 0.000 2.872 928 W HA 0.120 4.868 4.660 0.147 0.000 0.266 928 W C 0.162 176.698 176.519 0.029 0.000 1.276 928 W CA -0.342 57.059 57.345 0.094 0.000 1.471 928 W CB 0.124 29.613 29.460 0.049 0.000 1.071 928 W HN -0.136 nan 8.180 nan 0.000 0.619 929 D N 1.694 122.203 120.400 0.182 0.000 2.255 929 D HA 0.280 5.008 4.640 0.147 0.000 0.249 929 D C 0.400 176.467 176.300 -0.389 0.000 1.078 929 D CA 0.060 54.041 54.000 -0.031 0.000 0.896 929 D CB 0.896 41.726 40.800 0.050 0.000 1.194 929 D HN -0.147 nan 8.370 nan 0.000 0.429 930 R N 1.020 121.184 120.500 -0.560 0.000 2.710 930 R HA 0.351 4.779 4.340 0.147 0.000 0.270 930 R C -1.675 174.287 176.300 -0.564 0.000 1.021 930 R CA -0.701 54.866 56.100 -0.888 0.000 0.889 930 R CB -0.255 29.208 30.300 -1.395 0.000 1.243 930 R HN 0.187 nan 8.270 nan 0.000 0.464 931 F N 1.458 121.323 119.950 -0.142 0.000 2.438 931 F HA 0.297 4.912 4.527 0.147 0.000 0.356 931 F C 0.676 176.497 175.800 0.034 0.000 1.099 931 F CA 0.063 58.065 58.000 0.004 0.000 1.185 931 F CB 0.922 40.005 39.000 0.139 0.000 1.115 931 F HN 0.186 nan 8.300 nan 0.000 0.526 932 D N 5.007 125.523 120.400 0.193 0.000 2.232 932 D HA 0.427 5.155 4.640 0.147 0.000 0.242 932 D C -0.216 176.178 176.300 0.156 0.000 1.093 932 D CA 0.018 54.139 54.000 0.201 0.000 0.845 932 D CB 2.025 42.892 40.800 0.111 0.000 1.124 932 D HN 0.346 nan 8.370 nan 0.000 0.467 933 I N 1.941 122.646 120.570 0.224 0.000 2.436 933 I HA 0.170 4.428 4.170 0.147 0.000 0.289 933 I C 0.321 176.503 176.117 0.108 0.000 1.010 933 I CA -0.821 60.528 61.300 0.081 0.000 1.098 933 I CB 2.203 40.223 38.000 0.034 0.000 1.266 933 I HN -0.033 nan 8.210 nan 0.000 0.434 934 K N 4.766 125.165 120.400 -0.002 0.000 2.379 934 K HA 0.460 4.868 4.320 0.147 0.000 0.284 934 K C 0.510 177.116 176.600 0.010 0.000 1.044 934 K CA 0.636 56.923 56.287 -0.000 0.000 0.974 934 K CB 0.602 33.078 32.500 -0.041 0.000 0.962 934 K HN 0.875 nan 8.250 nan 0.000 0.474 935 G N 3.132 111.958 108.800 0.042 0.000 2.877 935 G HA2 -0.253 3.795 3.960 0.147 0.000 0.279 935 G HA3 -0.253 3.795 3.960 0.147 0.000 0.279 935 G C -0.970 173.942 174.900 0.021 0.000 1.431 935 G CA -0.106 45.011 45.100 0.028 0.000 0.883 935 G HN 0.867 nan 8.290 nan 0.000 0.547 936 D N -0.169 120.234 120.400 0.006 0.000 2.428 936 D HA 0.443 5.171 4.640 0.147 0.000 0.221 936 D C 0.242 176.531 176.300 -0.019 0.000 1.123 936 D CA -0.593 53.401 54.000 -0.010 0.000 0.869 936 D CB 1.427 42.214 40.800 -0.022 0.000 1.032 936 D HN 0.482 nan 8.370 nan 0.000 0.506 937 I N 1.687 122.243 120.570 -0.023 0.000 2.720 937 I HA 0.075 4.333 4.170 0.147 0.000 0.287 937 I C 0.844 176.943 176.117 -0.031 0.000 1.090 937 I CA -0.380 60.900 61.300 -0.033 0.000 1.384 937 I CB 0.722 38.692 38.000 -0.050 0.000 1.420 937 I HN 0.165 nan 8.210 nan 0.000 0.575 938 K N 4.845 125.225 120.400 -0.032 0.000 2.355 938 K HA 0.013 4.421 4.320 0.147 0.000 0.270 938 K C 0.812 177.383 176.600 -0.049 0.000 1.003 938 K CA -0.328 55.938 56.287 -0.035 0.000 0.957 938 K CB 0.506 32.987 32.500 -0.032 0.000 0.939 938 K HN 0.459 nan 8.250 nan 0.000 0.482 939 L N 3.183 124.369 121.223 -0.062 0.000 1.978 939 L HA -0.324 4.105 4.340 0.147 0.000 0.218 939 L C 2.265 179.049 176.870 -0.144 0.000 1.075 939 L CA 2.485 57.258 54.840 -0.111 0.000 0.767 939 L CB -1.008 40.977 42.059 -0.123 0.000 0.890 939 L HN 0.894 nan 8.230 nan 0.000 0.434 940 S N -1.388 114.242 115.700 -0.118 0.000 2.365 940 S HA -0.257 4.301 4.470 0.147 0.000 0.225 940 S C 1.823 176.383 174.600 -0.067 0.000 1.039 940 S CA 1.329 59.465 58.200 -0.106 0.000 1.033 940 S CB -1.114 62.046 63.200 -0.068 0.000 0.887 940 S HN 0.567 nan 8.310 nan 0.000 0.447 941 D N 1.567 121.941 120.400 -0.043 0.000 2.133 941 D HA -0.076 4.653 4.640 0.147 0.000 0.195 941 D C 1.882 178.193 176.300 0.018 0.000 0.997 941 D CA 1.165 55.154 54.000 -0.017 0.000 0.840 941 D CB -0.521 40.263 40.800 -0.027 0.000 0.947 941 D HN 0.424 nan 8.370 nan 0.000 0.452 942 L N 0.375 121.605 121.223 0.011 0.000 2.046 942 L HA -0.127 4.302 4.340 0.147 0.000 0.208 942 L C 2.306 179.281 176.870 0.175 0.000 1.077 942 L CA 0.986 55.890 54.840 0.106 0.000 0.747 942 L CB -0.103 41.989 42.059 0.056 0.000 0.896 942 L HN -0.005 nan 8.230 nan 0.000 0.432 943 I N -0.356 120.212 120.570 -0.002 0.000 2.226 943 I HA -0.292 3.966 4.170 0.147 0.000 0.245 943 I C 2.311 178.447 176.117 0.032 0.000 1.100 943 I CA 1.502 62.778 61.300 -0.040 0.000 1.374 943 I CB -0.376 37.513 38.000 -0.185 0.000 1.057 943 I HN 0.362 nan 8.210 nan 0.000 0.413 944 E N -0.352 119.865 120.200 0.028 0.000 2.112 944 E HA -0.240 4.198 4.350 0.147 0.000 0.190 944 E C 1.999 178.618 176.600 0.031 0.000 0.979 944 E CA 0.977 57.390 56.400 0.021 0.000 0.814 944 E CB -0.245 29.459 29.700 0.008 0.000 0.762 944 E HN 0.563 nan 8.360 nan 0.000 0.460 945 H N 0.491 119.537 119.070 -0.039 0.000 2.319 945 H HA -0.146 4.499 4.556 0.147 0.000 0.299 945 H C 1.570 176.777 175.328 -0.202 0.000 1.092 945 H CA 1.657 57.629 56.048 -0.126 0.000 1.302 945 H CB -0.309 29.351 29.762 -0.170 0.000 1.373 945 H HN 0.057 nan 8.280 nan 0.000 0.497 946 F N 0.033 119.819 119.950 -0.272 0.000 2.546 946 F HA -0.013 4.603 4.527 0.147 0.000 0.298 946 F C 2.350 177.984 175.800 -0.277 0.000 1.120 946 F CA 1.133 58.903 58.000 -0.384 0.000 1.456 946 F CB 0.091 38.895 39.000 -0.327 0.000 1.088 946 F HN 0.323 nan 8.300 nan 0.000 0.572 947 E N 0.569 120.740 120.200 -0.049 0.000 2.075 947 E HA -0.067 4.371 4.350 0.147 0.000 0.190 947 E C 1.976 178.535 176.600 -0.069 0.000 0.969 947 E CA 1.188 57.565 56.400 -0.040 0.000 0.815 947 E CB 0.010 29.700 29.700 -0.016 0.000 0.776 947 E HN -0.011 nan 8.360 nan 0.000 0.457 948 K N 0.694 121.036 120.400 -0.097 0.000 2.001 948 K HA -0.056 4.352 4.320 0.147 0.000 0.208 948 K C 1.705 178.229 176.600 -0.126 0.000 1.048 948 K CA 1.858 58.090 56.287 -0.091 0.000 0.932 948 K CB -0.288 32.167 32.500 -0.075 0.000 0.715 948 K HN 0.159 nan 8.250 nan 0.000 0.437 949 D N -0.110 120.138 120.400 -0.253 0.000 2.107 949 D HA -0.026 4.702 4.640 0.147 0.000 0.204 949 D C 0.318 176.523 176.300 -0.159 0.000 0.978 949 D CA 0.986 54.827 54.000 -0.266 0.000 0.852 949 D CB -0.103 40.387 40.800 -0.517 0.000 1.008 949 D HN 0.020 nan 8.370 nan 0.000 0.458 950 E N -0.685 119.395 120.200 -0.201 0.000 2.280 950 E HA 0.549 4.987 4.350 0.147 0.000 0.261 950 E C 0.731 177.345 176.600 0.023 0.000 1.088 950 E CA -0.314 56.096 56.400 0.016 0.000 0.915 950 E CB 1.028 30.733 29.700 0.009 0.000 1.141 950 E HN 0.074 nan 8.360 nan 0.000 0.433 951 G N 1.004 109.877 108.800 0.121 0.000 3.574 951 G HA2 0.289 4.337 3.960 0.147 0.000 0.262 951 G HA3 0.289 4.337 3.960 0.147 0.000 0.262 951 G C -0.547 174.380 174.900 0.045 0.000 1.231 951 G CA -0.076 45.069 45.100 0.076 0.000 1.608 951 G HN 0.164 nan 8.290 nan 0.000 0.628 952 L N 0.402 121.625 121.223 0.001 0.000 2.325 952 L HA 0.413 4.841 4.340 0.147 0.000 0.281 952 L C -0.141 176.701 176.870 -0.046 0.000 1.004 952 L CA -0.707 54.102 54.840 -0.051 0.000 0.823 952 L CB 2.401 44.376 42.059 -0.140 0.000 1.236 952 L HN 0.209 nan 8.230 nan 0.000 0.415 953 E N 4.213 124.382 120.200 -0.051 0.000 2.146 953 E HA 0.374 4.812 4.350 0.147 0.000 0.282 953 E C -0.809 175.747 176.600 -0.073 0.000 0.989 953 E CA -0.693 55.681 56.400 -0.042 0.000 0.799 953 E CB 1.144 30.834 29.700 -0.017 0.000 1.088 953 E HN 0.476 nan 8.360 nan 0.000 0.397 954 I N 4.837 125.361 120.570 -0.076 0.000 2.452 954 I HA 0.001 4.259 4.170 0.147 0.000 0.287 954 I C 1.160 177.276 176.117 -0.003 0.000 1.079 954 I CA 0.116 61.363 61.300 -0.088 0.000 1.387 954 I CB 1.397 39.315 38.000 -0.137 0.000 1.404 954 I HN 0.693 nan 8.210 nan 0.000 0.522 955 T N 5.407 119.910 114.554 -0.085 0.000 2.852 955 T HA 0.210 4.648 4.350 0.147 0.000 0.256 955 T C 0.598 175.118 174.700 -0.299 0.000 1.038 955 T CA 0.757 62.769 62.100 -0.148 0.000 1.141 955 T CB 0.131 68.940 68.868 -0.099 0.000 0.869 955 T HN 0.416 nan 8.240 nan 0.000 0.439 956 M N 0.404 119.879 119.600 -0.209 0.000 2.520 956 M HA 0.578 5.146 4.480 0.147 0.000 0.283 956 M C -2.059 174.177 176.300 -0.107 0.000 1.237 956 M CA -0.732 54.419 55.300 -0.249 0.000 0.885 956 M CB 3.597 36.095 32.600 -0.169 0.000 1.727 956 M HN 0.057 nan 8.290 nan 0.000 0.468 957 L N 2.076 123.257 121.223 -0.071 0.000 2.476 957 L HA 0.748 5.176 4.340 0.147 0.000 0.269 957 L C -1.217 175.669 176.870 0.027 0.000 0.965 957 L CA 0.000 54.840 54.840 -0.000 0.000 0.845 957 L CB 1.789 43.875 42.059 0.045 0.000 1.259 957 L HN 0.903 nan 8.230 nan 0.000 0.403 958 S N 2.790 118.523 115.700 0.055 0.000 2.599 958 S HA 0.588 5.146 4.470 0.147 0.000 0.287 958 S C -1.415 173.287 174.600 0.169 0.000 1.105 958 S CA -0.677 57.581 58.200 0.096 0.000 0.899 958 S CB 1.880 65.117 63.200 0.061 0.000 1.100 958 S HN 0.544 nan 8.310 nan 0.000 0.482 959 Y N 1.533 121.848 120.300 0.025 0.000 2.376 959 Y HA 0.551 5.190 4.550 0.147 0.000 0.326 959 Y C 0.790 176.695 175.900 0.009 0.000 0.970 959 Y CA 0.231 58.342 58.100 0.018 0.000 1.248 959 Y CB 0.489 38.962 38.460 0.021 0.000 1.117 959 Y HN 1.426 nan 8.280 nan 0.000 0.476 960 G N 3.255 111.897 108.800 -0.264 0.000 2.634 960 G HA2 -0.366 3.683 3.960 0.147 0.000 0.309 960 G HA3 -0.366 3.683 3.960 0.147 0.000 0.309 960 G C 0.938 175.769 174.900 -0.116 0.000 1.265 960 G CA 0.597 45.541 45.100 -0.261 0.000 0.998 960 G HN 0.770 nan 8.290 nan 0.000 0.551 961 V N 1.751 121.602 119.914 -0.105 0.000 2.392 961 V HA -0.044 4.164 4.120 0.147 0.000 0.249 961 V C 1.962 178.060 176.094 0.007 0.000 1.059 961 V CA 2.561 64.838 62.300 -0.039 0.000 1.051 961 V CB -0.860 30.942 31.823 -0.035 0.000 0.658 961 V HN 1.195 nan 8.190 nan 0.000 0.455 962 S N 0.608 116.324 115.700 0.027 0.000 2.525 962 S HA 0.556 5.114 4.470 0.147 0.000 0.278 962 S C -0.723 173.943 174.600 0.110 0.000 1.234 962 S CA -0.618 57.629 58.200 0.079 0.000 1.058 962 S CB 1.742 65.001 63.200 0.099 0.000 0.983 962 S HN 0.167 nan 8.310 nan 0.000 0.495 963 L N 3.574 124.872 121.223 0.125 0.000 2.360 963 L HA 0.348 4.776 4.340 0.147 0.000 0.276 963 L C 0.368 177.346 176.870 0.179 0.000 1.121 963 L CA 0.104 55.026 54.840 0.136 0.000 0.845 963 L CB -0.005 42.165 42.059 0.184 0.000 1.143 963 L HN 0.893 nan 8.230 nan 0.000 0.452 964 L N 5.365 126.670 121.223 0.137 0.000 2.537 964 L HA 0.251 4.679 4.340 0.147 0.000 0.224 964 L C -0.608 176.401 176.870 0.231 0.000 1.065 964 L CA -0.172 54.774 54.840 0.177 0.000 0.860 964 L CB 0.091 42.228 42.059 0.130 0.000 1.086 964 L HN 0.625 nan 8.230 nan 0.000 0.482 965 Y N 0.138 120.342 120.300 -0.161 0.000 2.592 965 Y HA 0.667 5.305 4.550 0.147 0.000 0.334 965 Y C -1.680 173.659 175.900 -0.935 0.000 1.136 965 Y CA -0.992 56.833 58.100 -0.460 0.000 1.042 965 Y CB 1.406 39.721 38.460 -0.241 0.000 1.325 965 Y HN -0.112 nan 8.280 nan 0.000 0.457 966 A N 1.841 123.130 122.820 -2.552 0.000 2.601 966 A HA 0.538 4.946 4.320 0.147 0.000 0.291 966 A C -0.095 176.439 177.584 -1.750 0.000 1.075 966 A CA -0.098 50.641 52.037 -2.163 0.000 0.671 966 A CB 0.811 18.439 19.000 -2.287 0.000 1.277 966 A HN 0.813 nan 8.150 nan 0.000 0.417 967 S N -0.110 114.975 115.700 -1.025 0.000 2.370 967 S HA -0.144 4.415 4.470 0.147 0.000 0.226 967 S C 1.359 175.787 174.600 -0.286 0.000 1.033 967 S CA 2.441 60.366 58.200 -0.459 0.000 1.011 967 S CB -0.655 62.436 63.200 -0.181 0.000 0.852 967 S HN 1.034 nan 8.310 nan 0.000 0.457 968 F N -0.302 119.561 119.950 -0.146 0.000 2.811 968 F HA 0.409 5.024 4.527 0.147 0.000 0.301 968 F C 0.103 176.003 175.800 0.166 0.000 1.151 968 F CA -1.012 56.993 58.000 0.008 0.000 1.412 968 F CB -0.868 38.138 39.000 0.011 0.000 1.113 968 F HN -0.103 nan 8.300 nan 0.000 0.579 969 F N 4.168 123.939 119.950 -0.299 0.000 2.533 969 F HA 0.311 4.926 4.527 0.147 0.000 0.378 969 F C -1.804 173.978 175.800 -0.031 0.000 1.070 969 F CA -3.459 54.451 58.000 -0.150 0.000 1.172 969 F CB -0.531 38.320 39.000 -0.249 0.000 1.085 969 F HN -0.108 nan 8.300 nan 0.000 0.552 970 P HA -0.006 nan 4.420 nan 0.000 0.267 970 P C -1.864 175.480 177.300 0.072 0.000 1.201 970 P CA -0.692 62.457 63.100 0.082 0.000 0.775 970 P CB 0.124 31.846 31.700 0.036 0.000 0.854 971 P HA -0.267 nan 4.420 nan 0.000 0.219 971 P C 1.213 178.538 177.300 0.042 0.000 1.161 971 P CA 2.179 65.312 63.100 0.054 0.000 0.909 971 P CB -0.191 31.532 31.700 0.039 0.000 0.793 972 K N -0.469 119.944 120.400 0.022 0.000 2.097 972 K HA -0.138 4.270 4.320 0.147 0.000 0.205 972 K C 2.167 178.764 176.600 -0.006 0.000 1.050 972 K CA 1.165 57.456 56.287 0.007 0.000 0.938 972 K CB -0.401 32.097 32.500 -0.004 0.000 0.718 972 K HN 0.149 nan 8.250 nan 0.000 0.442 973 K N 1.379 121.759 120.400 -0.032 0.000 2.063 973 K HA -0.091 4.317 4.320 0.147 0.000 0.208 973 K C 2.158 178.767 176.600 0.015 0.000 1.048 973 K CA 0.963 57.193 56.287 -0.095 0.000 0.928 973 K CB -0.051 32.284 32.500 -0.276 0.000 0.713 973 K HN 0.031 nan 8.250 nan 0.000 0.442 974 L N 0.510 121.799 121.223 0.109 0.000 2.093 974 L HA -0.171 4.257 4.340 0.147 0.000 0.208 974 L C 2.417 179.348 176.870 0.100 0.000 1.085 974 L CA 0.923 55.871 54.840 0.180 0.000 0.755 974 L CB -0.429 41.743 42.059 0.189 0.000 0.904 974 L HN 0.110 nan 8.230 nan 0.000 0.435 975 K N 1.101 121.537 120.400 0.059 0.000 2.044 975 K HA -0.232 4.176 4.320 0.147 0.000 0.210 975 K C 1.824 178.441 176.600 0.028 0.000 1.049 975 K CA 1.830 58.138 56.287 0.036 0.000 0.927 975 K CB -0.181 32.333 32.500 0.023 0.000 0.713 975 K HN 0.404 nan 8.250 nan 0.000 0.443 976 E N -0.259 119.956 120.200 0.026 0.000 2.051 976 E HA -0.160 4.278 4.350 0.147 0.000 0.192 976 E C 2.164 178.781 176.600 0.029 0.000 0.991 976 E CA 1.358 57.770 56.400 0.020 0.000 0.799 976 E CB -0.167 29.540 29.700 0.012 0.000 0.748 976 E HN 0.296 nan 8.360 nan 0.000 0.449 977 R N 0.548 121.080 120.500 0.053 0.000 2.093 977 R HA 0.028 4.456 4.340 0.147 0.000 0.224 977 R C 2.488 178.804 176.300 0.028 0.000 1.101 977 R CA 0.602 56.740 56.100 0.063 0.000 0.979 977 R CB -0.355 30.028 30.300 0.139 0.000 0.877 977 R HN 0.157 nan 8.270 nan 0.000 0.441 978 L N 1.204 122.438 121.223 0.019 0.000 2.131 978 L HA -0.165 4.263 4.340 0.147 0.000 0.210 978 L C 1.836 178.688 176.870 -0.031 0.000 1.092 978 L CA 1.041 55.865 54.840 -0.026 0.000 0.759 978 L CB -0.281 41.767 42.059 -0.019 0.000 0.903 978 L HN 0.189 nan 8.230 nan 0.000 0.435 979 N N -0.578 118.114 118.700 -0.013 0.000 2.336 979 N HA 0.083 4.911 4.740 0.147 0.000 0.189 979 N C 0.147 175.649 175.510 -0.013 0.000 1.113 979 N CA 0.052 53.093 53.050 -0.014 0.000 0.858 979 N CB 0.220 38.703 38.487 -0.007 0.000 0.970 979 N HN 0.116 nan 8.380 nan 0.000 0.471 980 L N 2.219 123.435 121.223 -0.011 0.000 2.305 980 L HA 0.397 4.825 4.340 0.147 0.000 0.281 980 L C -1.911 174.948 176.870 -0.018 0.000 1.085 980 L CA -1.882 52.952 54.840 -0.009 0.000 0.813 980 L CB 0.938 42.998 42.059 0.001 0.000 1.157 980 L HN 0.024 nan 8.230 nan 0.000 0.436 981 P HA 0.077 nan 4.420 nan 0.000 0.270 981 P C 0.876 178.157 177.300 -0.032 0.000 1.223 981 P CA -0.157 62.928 63.100 -0.025 0.000 0.785 981 P CB 1.062 32.749 31.700 -0.021 0.000 0.923 982 I N 0.391 120.935 120.570 -0.043 0.000 2.361 982 I HA -0.245 4.013 4.170 0.147 0.000 0.251 982 I C 2.287 178.349 176.117 -0.093 0.000 1.133 982 I CA 1.693 62.955 61.300 -0.064 0.000 1.413 982 I CB -0.975 36.981 38.000 -0.073 0.000 1.073 982 I HN 0.369 nan 8.210 nan 0.000 0.424 983 T N 0.038 114.543 114.554 -0.082 0.000 2.607 983 T HA -0.293 4.145 4.350 0.147 0.000 0.267 983 T C 1.914 176.583 174.700 -0.051 0.000 1.049 983 T CA 1.653 63.705 62.100 -0.080 0.000 1.162 983 T CB -0.279 68.559 68.868 -0.050 0.000 0.863 983 T HN 0.421 nan 8.240 nan 0.000 0.424 984 Q N -0.235 119.547 119.800 -0.030 0.000 2.230 984 Q HA 0.026 4.454 4.340 0.147 0.000 0.202 984 Q C 2.267 178.265 176.000 -0.004 0.000 0.963 984 Q CA 0.573 56.369 55.803 -0.012 0.000 0.866 984 Q CB -0.205 28.529 28.738 -0.007 0.000 0.931 984 Q HN 0.274 nan 8.270 nan 0.000 0.452 985 L N -0.077 121.141 121.223 -0.008 0.000 2.017 985 L HA -0.164 4.264 4.340 0.147 0.000 0.208 985 L C 2.052 178.935 176.870 0.022 0.000 1.073 985 L CA 1.543 56.390 54.840 0.013 0.000 0.745 985 L CB -0.633 41.433 42.059 0.010 0.000 0.894 985 L HN 0.008 nan 8.230 nan 0.000 0.432 986 V N -0.322 119.585 119.914 -0.012 0.000 2.343 986 V HA -0.290 3.918 4.120 0.147 0.000 0.247 986 V C 2.682 178.798 176.094 0.037 0.000 1.051 986 V CA 1.910 64.215 62.300 0.008 0.000 1.036 986 V CB -0.614 31.145 31.823 -0.106 0.000 0.654 986 V HN 0.466 nan 8.190 nan 0.000 0.451 987 K N -0.512 119.897 120.400 0.015 0.000 2.148 987 K HA -0.165 4.243 4.320 0.147 0.000 0.204 987 K C 2.111 178.728 176.600 0.029 0.000 1.050 987 K CA 1.310 57.611 56.287 0.024 0.000 0.942 987 K CB -0.153 32.354 32.500 0.012 0.000 0.724 987 K HN 0.367 nan 8.250 nan 0.000 0.446 988 L N 0.536 121.775 121.223 0.028 0.000 2.027 988 L HA -0.132 4.296 4.340 0.147 0.000 0.206 988 L C 1.912 178.804 176.870 0.037 0.000 1.074 988 L CA 1.397 56.254 54.840 0.029 0.000 0.745 988 L CB -0.279 41.797 42.059 0.028 0.000 0.898 988 L HN -0.127 nan 8.230 nan 0.000 0.433 989 V N -0.513 119.433 119.914 0.055 0.000 2.256 989 V HA -0.189 4.019 4.120 0.147 0.000 0.240 989 V C 2.266 178.400 176.094 0.065 0.000 1.036 989 V CA 1.858 64.198 62.300 0.068 0.000 1.008 989 V CB -1.296 30.588 31.823 0.100 0.000 0.648 989 V HN 0.698 nan 8.190 nan 0.000 0.453 990 T N -2.595 112.006 114.554 0.078 0.000 3.496 990 T HA 0.005 4.443 4.350 0.147 0.000 0.253 990 T C 1.186 175.919 174.700 0.054 0.000 1.134 990 T CA 0.581 62.725 62.100 0.074 0.000 0.993 990 T CB -0.523 68.405 68.868 0.101 0.000 1.018 990 T HN 0.503 nan 8.240 nan 0.000 0.571 991 K N -0.222 120.204 120.400 0.043 0.000 5.625 991 K HA -0.251 4.157 4.320 0.147 0.000 0.420 991 K C -0.121 176.498 176.600 0.031 0.000 0.485 991 K CA 2.168 58.475 56.287 0.032 0.000 1.772 991 K CB -0.806 31.710 32.500 0.026 0.000 1.074 991 K HN 0.543 nan 8.250 nan 0.000 0.653 992 K N -0.136 120.286 120.400 0.037 0.000 2.739 992 K HA 0.193 4.601 4.320 0.147 0.000 0.288 992 K C -1.091 175.535 176.600 0.044 0.000 1.142 992 K CA -0.201 56.106 56.287 0.035 0.000 1.060 992 K CB 1.734 34.251 32.500 0.029 0.000 1.338 992 K HN 0.076 nan 8.250 nan 0.000 0.514 993 D N 0.605 121.033 120.400 0.047 0.000 3.808 993 D HA 0.359 5.087 4.640 0.147 0.000 0.179 993 D C -0.665 175.663 176.300 0.045 0.000 1.365 993 D CA -0.439 53.595 54.000 0.057 0.000 1.305 993 D CB 0.623 41.475 40.800 0.087 0.000 1.303 993 D HN 0.420 nan 8.370 nan 0.000 0.438 994 I N 1.149 121.744 120.570 0.040 0.000 6.313 994 I HA -0.140 4.118 4.170 0.147 0.000 0.126 994 I C -2.598 173.545 176.117 0.042 0.000 1.413 994 I CA -0.316 60.999 61.300 0.024 0.000 2.511 994 I CB 0.087 38.088 38.000 0.003 0.000 2.664 994 I HN 0.161 nan 8.210 nan 0.000 0.292 995 P HA 0.345 nan 4.420 nan 0.000 0.295 995 P C -0.263 177.081 177.300 0.075 0.000 1.354 995 P CA -0.393 62.759 63.100 0.087 0.000 0.814 995 P CB 1.658 33.423 31.700 0.109 0.000 0.935 996 A N 3.528 126.416 122.820 0.112 0.000 2.863 996 A HA 0.013 4.421 4.320 0.147 0.000 0.246 996 A C 0.853 178.536 177.584 0.165 0.000 1.772 996 A CA 0.282 52.377 52.037 0.096 0.000 1.456 996 A CB -1.485 17.561 19.000 0.077 0.000 0.930 996 A HN 0.781 nan 8.150 nan 0.000 0.630 997 H N -1.800 117.298 119.070 0.048 0.000 3.770 997 H HA 0.129 4.774 4.556 0.147 0.000 0.264 997 H C -0.566 174.806 175.328 0.073 0.000 1.164 997 H CA 0.654 56.735 56.048 0.055 0.000 1.158 997 H CB -0.897 28.894 29.762 0.048 0.000 1.653 997 H HN 0.352 nan 8.280 nan 0.000 0.795 998 V N 2.282 121.987 119.914 -0.348 0.000 2.383 998 V HA 0.466 4.674 4.120 0.147 0.000 0.275 998 V C 1.080 177.152 176.094 -0.036 0.000 1.036 998 V CA 0.018 62.204 62.300 -0.190 0.000 0.889 998 V CB 1.365 33.068 31.823 -0.200 0.000 0.985 998 V HN 0.415 nan 8.190 nan 0.000 0.459 999 S N 1.580 117.304 115.700 0.040 0.000 2.561 999 S HA 0.356 4.914 4.470 0.147 0.000 0.245 999 S C 0.369 175.021 174.600 0.086 0.000 1.001 999 S CA -0.004 58.239 58.200 0.073 0.000 1.002 999 S CB -0.019 63.247 63.200 0.111 0.000 0.805 999 S HN 0.958 nan 8.310 nan 0.000 0.458 1000 T N 2.525 117.115 114.554 0.060 0.000 2.982 1000 T HA 0.652 5.090 4.350 0.147 0.000 0.321 1000 T C -1.424 173.302 174.700 0.043 0.000 1.229 1000 T CA -0.738 61.395 62.100 0.054 0.000 1.044 1000 T CB 1.448 70.414 68.868 0.162 0.000 1.184 1000 T HN 0.527 nan 8.240 nan 0.000 0.477 1001 M N 3.733 123.362 119.600 0.048 0.000 2.371 1001 M HA 0.599 5.167 4.480 0.147 0.000 0.287 1001 M C -1.497 174.915 176.300 0.188 0.000 1.149 1001 M CA -0.951 54.421 55.300 0.120 0.000 0.929 1001 M CB 1.812 34.396 32.600 -0.027 0.000 1.683 1001 M HN 0.357 nan 8.290 nan 0.000 0.470 1002 I N 4.508 125.237 120.570 0.264 0.000 2.337 1002 I HA 0.359 4.617 4.170 0.147 0.000 0.291 1002 I C -0.676 175.620 176.117 0.298 0.000 1.046 1002 I CA -0.482 60.971 61.300 0.256 0.000 1.324 1002 I CB 0.759 38.812 38.000 0.088 0.000 1.409 1002 I HN 0.626 nan 8.210 nan 0.000 0.494 1003 L N 6.841 128.233 121.223 0.280 0.000 2.322 1003 L HA 0.483 4.911 4.340 0.147 0.000 0.279 1003 L C 0.064 177.062 176.870 0.213 0.000 1.036 1003 L CA -0.672 54.308 54.840 0.234 0.000 0.807 1003 L CB 1.402 43.562 42.059 0.169 0.000 1.226 1003 L HN 0.553 nan 8.230 nan 0.000 0.433 1004 E N 2.817 123.104 120.200 0.144 0.000 2.179 1004 E HA 0.544 4.982 4.350 0.147 0.000 0.275 1004 E C -1.187 175.443 176.600 0.051 0.000 0.945 1004 E CA -0.610 55.858 56.400 0.113 0.000 0.792 1004 E CB 3.172 32.914 29.700 0.070 0.000 1.125 1004 E HN 0.361 nan 8.360 nan 0.000 0.397 1005 I N 1.719 122.301 120.570 0.021 0.000 2.689 1005 I HA 0.297 4.555 4.170 0.147 0.000 0.299 1005 I C -1.164 174.908 176.117 -0.076 0.000 1.059 1005 I CA -0.425 60.831 61.300 -0.075 0.000 1.055 1005 I CB 1.405 39.277 38.000 -0.213 0.000 1.243 1005 I HN 0.569 nan 8.210 nan 0.000 0.425 1006 C N 5.558 124.799 119.300 -0.098 0.000 2.391 1006 C HA 0.973 5.521 4.460 0.147 0.000 0.339 1006 C C 0.002 174.915 174.990 -0.127 0.000 1.205 1006 C CA -0.193 58.772 59.018 -0.087 0.000 1.937 1006 C CB 0.725 28.427 27.740 -0.062 0.000 2.341 1006 C HN 0.820 nan 8.230 nan 0.000 0.516 1007 A N 2.537 125.290 122.820 -0.111 0.000 2.572 1007 A HA 0.712 5.120 4.320 0.147 0.000 0.295 1007 A C -1.665 175.878 177.584 -0.068 0.000 1.072 1007 A CA -0.415 51.549 52.037 -0.121 0.000 0.691 1007 A CB 1.071 19.951 19.000 -0.199 0.000 1.291 1007 A HN 0.754 nan 8.150 nan 0.000 0.404 1008 D N 1.148 121.517 120.400 -0.051 0.000 2.193 1008 D HA 0.468 5.196 4.640 0.147 0.000 0.249 1008 D C -0.173 176.119 176.300 -0.012 0.000 1.034 1008 D CA 0.096 54.085 54.000 -0.018 0.000 0.902 1008 D CB 1.602 42.396 40.800 -0.009 0.000 1.182 1008 D HN 0.642 nan 8.370 nan 0.000 0.436 1009 D N -0.148 120.263 120.400 0.020 0.000 2.453 1009 D HA 0.121 4.849 4.640 0.147 0.000 0.282 1009 D C 0.754 177.078 176.300 0.039 0.000 1.222 1009 D CA -0.234 53.794 54.000 0.045 0.000 1.079 1009 D CB 0.633 41.489 40.800 0.094 0.000 1.128 1009 D HN 0.089 nan 8.370 nan 0.000 0.568 1010 K N -1.022 119.410 120.400 0.052 0.000 2.217 1010 K HA -0.024 4.384 4.320 0.147 0.000 0.202 1010 K C 1.330 177.950 176.600 0.033 0.000 1.051 1010 K CA 0.807 57.118 56.287 0.039 0.000 0.952 1010 K CB 0.070 32.596 32.500 0.044 0.000 0.736 1010 K HN 0.366 nan 8.250 nan 0.000 0.453 1011 E N -0.073 120.149 120.200 0.037 0.000 2.494 1011 E HA 0.005 4.443 4.350 0.147 0.000 0.193 1011 E C 0.793 177.409 176.600 0.027 0.000 1.074 1011 E CA 0.419 56.837 56.400 0.031 0.000 0.867 1011 E CB 0.539 30.260 29.700 0.034 0.000 0.924 1011 E HN 0.496 nan 8.360 nan 0.000 0.502 1012 G N 1.912 110.727 108.800 0.025 0.000 2.148 1012 G HA2 -0.298 3.751 3.960 0.147 0.000 0.254 1012 G HA3 -0.298 3.751 3.960 0.147 0.000 0.254 1012 G C 0.039 174.951 174.900 0.020 0.000 0.981 1012 G CA 0.298 45.409 45.100 0.019 0.000 0.670 1012 G HN 0.314 nan 8.290 nan 0.000 0.528 1013 E N 0.465 120.681 120.200 0.027 0.000 2.204 1013 E HA 0.276 4.714 4.350 0.147 0.000 0.276 1013 E C -0.473 176.144 176.600 0.029 0.000 0.974 1013 E CA -0.822 55.595 56.400 0.029 0.000 0.815 1013 E CB 1.079 30.800 29.700 0.036 0.000 1.119 1013 E HN 0.245 nan 8.360 nan 0.000 0.393 1014 D N 2.312 122.727 120.400 0.024 0.000 2.493 1014 D HA 0.032 4.760 4.640 0.147 0.000 0.240 1014 D C -1.055 175.269 176.300 0.039 0.000 1.142 1014 D CA 0.371 54.383 54.000 0.021 0.000 0.872 1014 D CB 0.687 41.498 40.800 0.019 0.000 1.173 1014 D HN -0.001 nan 8.370 nan 0.000 0.467 1015 V N 3.778 123.714 119.914 0.037 0.000 2.789 1015 V HA 0.225 4.433 4.120 0.147 0.000 0.311 1015 V C 0.265 176.397 176.094 0.064 0.000 1.073 1015 V CA -1.002 61.343 62.300 0.073 0.000 0.921 1015 V CB 1.922 33.811 31.823 0.110 0.000 1.009 1015 V HN 0.539 nan 8.190 nan 0.000 0.426 1016 E N 1.587 121.859 120.200 0.121 0.000 2.383 1016 E HA 0.543 4.981 4.350 0.147 0.000 0.264 1016 E C -1.344 175.340 176.600 0.141 0.000 1.050 1016 E CA 0.013 56.501 56.400 0.146 0.000 0.896 1016 E CB 1.481 31.304 29.700 0.205 0.000 0.982 1016 E HN 0.455 nan 8.360 nan 0.000 0.424 1017 V N 4.572 124.509 119.914 0.038 0.000 3.147 1017 V HA 0.278 4.487 4.120 0.147 0.000 0.299 1017 V C -2.394 173.597 176.094 -0.171 0.000 1.302 1017 V CA -1.638 60.512 62.300 -0.250 0.000 1.015 1017 V CB 2.267 33.953 31.823 -0.228 0.000 1.086 1017 V HN 0.738 nan 8.190 nan 0.000 0.437 1018 P HA 0.209 nan 4.420 nan 0.000 0.269 1018 P C -0.668 176.667 177.300 0.059 0.000 1.217 1018 P CA 0.048 63.038 63.100 -0.185 0.000 0.783 1018 P CB 0.202 31.514 31.700 -0.647 0.000 0.898 1019 F N -0.098 119.901 119.950 0.082 0.000 2.352 1019 F HA 0.615 5.230 4.527 0.147 0.000 0.304 1019 F C 0.028 175.970 175.800 0.236 0.000 1.215 1019 F CA -0.896 57.185 58.000 0.135 0.000 1.121 1019 F CB -0.029 39.026 39.000 0.091 0.000 1.329 1019 F HN 0.033 nan 8.300 nan 0.000 0.528 1020 I N 0.165 120.995 120.570 0.434 0.000 2.569 1020 I HA 0.364 4.622 4.170 0.147 0.000 0.296 1020 I C -0.760 175.589 176.117 0.386 0.000 1.028 1020 I CA -0.664 60.856 61.300 0.368 0.000 1.082 1020 I CB 2.301 40.510 38.000 0.348 0.000 1.264 1020 I HN 0.618 nan 8.210 nan 0.000 0.429 1021 T N 6.164 120.878 114.554 0.266 0.000 2.786 1021 T HA 0.532 4.970 4.350 0.147 0.000 0.283 1021 T C -0.349 174.391 174.700 0.067 0.000 0.992 1021 T CA -0.294 61.909 62.100 0.172 0.000 0.954 1021 T CB 0.893 69.793 68.868 0.053 0.000 0.934 1021 T HN 0.141 nan 8.240 nan 0.000 0.440 1022 I N 4.017 124.606 120.570 0.031 0.000 2.342 1022 I HA 0.192 4.450 4.170 0.147 0.000 0.291 1022 I C 0.409 176.477 176.117 -0.082 0.000 1.010 1022 I CA -0.333 60.980 61.300 0.023 0.000 1.308 1022 I CB 0.568 38.582 38.000 0.023 0.000 1.400 1022 I HN 0.571 nan 8.210 nan 0.000 0.488 1023 H N 7.504 126.616 119.070 0.070 0.000 2.597 1023 H HA 0.383 5.027 4.556 0.147 0.000 0.303 1023 H C -0.189 175.168 175.328 0.049 0.000 1.057 1023 H CA -0.586 55.506 56.048 0.074 0.000 1.261 1023 H CB 0.785 30.586 29.762 0.066 0.000 1.397 1023 H HN 0.393 nan 8.280 nan 0.000 0.461 1024 L N 0.000 121.299 121.223 0.127 0.000 2.949 1024 L HA 0.000 4.428 4.340 0.147 0.000 0.249 1024 L CA 0.000 54.886 54.840 0.076 0.000 0.813 1024 L CB 0.000 42.084 42.059 0.043 0.000 0.961 1024 L HN 0.000 nan 8.230 nan 0.000 0.502